4-methyl-1,3-thiazol-2-amine;dihydrochloride

C4H8Cl2N2S — CID 87626101

IUPAC4-methyl-1,3-thiazol-2-amine;dihydrochloride
SMILESCc1csc(N)n1.Cl.Cl
InChIInChI=1S/C4H6N2S.2ClH/c1-3-2-7-4(5)6-3;;/h2H,1H3,(H2,5,6);2*1H
InChIKeyKXKPHELJHIUNTI-UHFFFAOYSA-N
MW187.09 g/mol
LogP1.88
Rot. Bonds

About 4-methyl-1,3-thiazol-2-amine;dihydrochloride

4-methyl-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 87626101) has the molecular formula C4H8Cl2N2S and a molecular weight of 187.09 g/mol. Its IUPAC name is 4-methyl-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-methyl-1,3-thiazol-2-amine;dihydrochloride
PubChem CID87626101
Molecular FormulaC4H8Cl2N2S
Molecular Weight187.09 g/mol
Exact Mass185.98
IUPAC Name4-methyl-1,3-thiazol-2-amine;dihydrochloride
SMILESCc1csc(N)n1.Cl.Cl
InChIInChI=1S/C4H6N2S.2ClH/c1-3-2-7-4(5)6-3;;/h2H,1H3,(H2,5,6);2*1H
InChIKeyKXKPHELJHIUNTI-UHFFFAOYSA-N
XLogP1.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.09
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine;hydrochloride
CID 52988778
5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 126477214
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335
2,4-dimethyl-1,3-thiazole;2-ethenyl-4-methyl-1,3-thiazole;2-methoxy-4-methyl-1,3-thiazole;4-methyl-1,3-thiazol-2-amine
CID 159432367
4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 157237511
4-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-thiazol-2-amine
CID 17458174
4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
CID 2870539
4-(1-aminoethyl)-1,3-thiazol-2-amine
CID 64545491
(2-amino-1,3-thiazol-4-yl)-(4,6-dimethylpyrimidin-2-yl)methanethiol
CID 22299017
4-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine
CID 130517444
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964
4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 58125052

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of 4-methyl-1,3-thiazol-2-amine;dihydrochloride (CID 87626101) is 4-methyl-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for 4-methyl-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for 4-methyl-1,3-thiazol-2-amine;dihydrochloride is Cc1csc(N)n1.Cl.Cl.
What is the InChIKey of 4-methyl-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is KXKPHELJHIUNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S.2ClH/c1-3-2-7-4(5)6-3;;/h2H,1H3,(H2,5,6);2*1H.
What are the key properties of 4-methyl-1,3-thiazol-2-amine;dihydrochloride?
4-methyl-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 187.09 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 87626101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).