5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid

C9H7ClN2O2S2 — CID 103408838

IUPAC5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1csc(-c2nc(C(=O)O)c(N)s2)c1Cl
InChIInChI=1S/C9H7ClN2O2S2/c1-3-2-15-6(4(3)10)8-12-5(9(13)14)7(11)16-8/h2H,11H2,1H3,(H,13,14)
InChIKeyLKZSOCZHAKYRCC-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.11
Rot. Bonds2

About 5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid

5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 103408838) has the molecular formula C9H7ClN2O2S2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID103408838
Molecular FormulaC9H7ClN2O2S2
Molecular Weight274.75 g/mol
Exact Mass273.96
IUPAC Name5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESCc1csc(-c2nc(C(=O)O)c(N)s2)c1Cl
InChIInChI=1S/C9H7ClN2O2S2/c1-3-2-15-6(4(3)10)8-12-5(9(13)14)7(11)16-8/h2H,11H2,1H3,(H,13,14)
InChIKeyLKZSOCZHAKYRCC-UHFFFAOYSA-N
XLogP3.11
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid (CID 103408838) is 5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid is Cc1csc(-c2nc(C(=O)O)c(N)s2)c1Cl.
What is the InChIKey of 5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is LKZSOCZHAKYRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S2/c1-3-2-15-6(4(3)10)8-12-5(9(13)14)7(11)16-8/h2H,11H2,1H3,(H,13,14).
What are the key properties of 5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid?
5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 274.75 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 103408838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).