4-amino-3-methyl-1,2-thiazole-5-carboxylic acid;hydrochloride

C5H7ClN2O2S — CID 75412369

IUPAC4-amino-3-methyl-1,2-thiazole-5-carboxylic acid;hydrochloride
SMILESCc1nsc(C(=O)O)c1N.Cl
InChIInChI=1S/C5H6N2O2S.ClH/c1-2-3(6)4(5(8)9)10-7-2;/h6H2,1H3,(H,8,9);1H
InChIKeyIRVPQPVRZGBELA-UHFFFAOYSA-N
MW194.64 g/mol
LogP1.15
Rot. Bonds1

About 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid;hydrochloride

4-amino-3-methyl-1,2-thiazole-5-carboxylic acid;hydrochloride (PubChem CID 75412369) has the molecular formula C5H7ClN2O2S and a molecular weight of 194.64 g/mol. Its IUPAC name is 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methyl-1,2-thiazole-5-carboxylic acid;hydrochloride
PubChem CID75412369
Molecular FormulaC5H7ClN2O2S
Molecular Weight194.64 g/mol
Exact Mass193.99
IUPAC Name4-amino-3-methyl-1,2-thiazole-5-carboxylic acid;hydrochloride
SMILESCc1nsc(C(=O)O)c1N.Cl
InChIInChI=1S/C5H6N2O2S.ClH/c1-2-3(6)4(5(8)9)10-7-2;/h6H2,1H3,(H,8,9);1H
InChIKeyIRVPQPVRZGBELA-UHFFFAOYSA-N
XLogP1.15
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.64
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid;hydrochloride (CID 75412369) is 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid;hydrochloride is Cc1nsc(C(=O)O)c1N.Cl.
What is the InChIKey of 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid;hydrochloride?
The InChIKey is IRVPQPVRZGBELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S.ClH/c1-2-3(6)4(5(8)9)10-7-2;/h6H2,1H3,(H,8,9);1H.
What are the key properties of 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid;hydrochloride?
4-amino-3-methyl-1,2-thiazole-5-carboxylic acid;hydrochloride has a molecular weight of 194.64 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1,2-thiazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 75412369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).