4,5-Dimethyl-1,3-thiazol-2-amine--hydrogen chloride (1/1)

CAS Number: 71574-33-9
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Cc1c(C)sc(N)n1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C5H8N2S
Molecular Weight
128.199
Drug-likeness
-1.045
CAS
71574-33-9
InChI key
XYTUTNQRQLAZLK-UHFFFAOYSA-N
SMILES
Cc1c(C)sc(N)n1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 71574-33-9
Molecule Name 4,5-Dimethyl-1,3-thiazol-2-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C5H8N2S
SMILES Cc1c(C)sc(N)n1.Cl
InChI InChI=1S/C5H8N2S.ClH/c1-3-4(2)8-5(6)7-3;/h1-2H3,(H2,6,7);1H
InChI Key XYTUTNQRQLAZLK-UHFFFAOYSA-N
CanonicalSyTyLFy 804dacd3200d2d20
TotalMolweight 164.659
Molecular Weight 128.199
MonoisotopicMass 128.040818
CLogP 1.4316
CLogS -2.247
H Acceptors 2
H Donors 1
TotalSurfaceArea 101
Relative PSA 0.46139
PolarSurfaceArea 67.15
Drug-likeness -1.045
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.625
Molecular Complexity 0.76113
Fragments 2
Non HAtoms 8
NonCHAtoms 3
Electronegative Atoms 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 5
Sp3Atoms 2
Aromatic Nitrogens 1
BasicNitrogens 1

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