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

C8H5ClN2O2S2 — CID 106510061

IUPAC2-amino-5-(4-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(-c2cc(Cl)cs2)s1
InChIInChI=1S/C8H5ClN2O2S2/c9-3-1-4(14-2-3)6-5(7(12)13)11-8(10)15-6/h1-2H,(H2,10,11)(H,12,13)
InChIKeyXCJUTQIXORMOBW-UHFFFAOYSA-N
MW260.73 g/mol
LogP2.81
Rot. Bonds2

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

2-amino-5-(4-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106510061) has the molecular formula C8H5ClN2O2S2 and a molecular weight of 260.73 g/mol. Its IUPAC name is 2-amino-5-(4-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(4-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID106510061
Molecular FormulaC8H5ClN2O2S2
Molecular Weight260.73 g/mol
Exact Mass259.95
IUPAC Name2-amino-5-(4-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(-c2cc(Cl)cs2)s1
InChIInChI=1S/C8H5ClN2O2S2/c9-3-1-4(14-2-3)6-5(7(12)13)11-8(10)15-6/h1-2H,(H2,10,11)(H,12,13)
InChIKeyXCJUTQIXORMOBW-UHFFFAOYSA-N
XLogP2.81
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510849
2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271730
2-amino-5-(5-ethylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid
CID 106510077
2-amino-5-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 106510037
2-amino-5-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271783
2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510015
2-amino-5-(4-bromo-3-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 106510033
5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510799
2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360752
5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
CID 53271192
2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271804
5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid
CID 103408838

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-(4-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid (CID 106510061) is 2-amino-5-(4-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-(4-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-(4-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid is Nc1nc(C(=O)O)c(-c2cc(Cl)cs2)s1.
What is the InChIKey of 2-amino-5-(4-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is XCJUTQIXORMOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2S2/c9-3-1-4(14-2-3)6-5(7(12)13)11-8(10)15-6/h1-2H,(H2,10,11)(H,12,13).
What are the key properties of 2-amino-5-(4-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid?
2-amino-5-(4-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 260.73 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).