2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid

C7H8ClNO2S — CID 2764077

IUPAC2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1sc(Cl)nc1C(=O)O
InChIInChI=1S/C7H8ClNO2S/c1-3(2)5-4(6(10)11)9-7(8)12-5/h3H,1-2H3,(H,10,11)
InChIKeyJBGWUKMKNIMSOU-UHFFFAOYSA-N
MW205.67 g/mol
LogP2.62
Rot. Bonds2

About 2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid

2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 2764077) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is 2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
PubChem CID2764077
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Name2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1sc(Cl)nc1C(=O)O
InChIInChI=1S/C7H8ClNO2S/c1-3(2)5-4(6(10)11)9-7(8)12-5/h3H,1-2H3,(H,10,11)
InChIKeyJBGWUKMKNIMSOU-UHFFFAOYSA-N
XLogP2.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloroanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 10756389
4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 71703992
2-chloro-N-(1H-imidazol-2-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 71706154
2-chloro-4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid
CID 141213623
2-chloro-5-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71700812
3-(2,4-dichloro-1,3-thiazol-5-yl)-2,3-dihydroxypropanoic acid
CID 118140935
2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 10851198
2-bromo-5-butan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510241
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 71701513
2-chloro-4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazole
CID 114868702
[(3aS,4S,8bS)-4-amino-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 125212365
2-chloro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 71702900

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid (CID 2764077) is 2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid is CC(C)c1sc(Cl)nc1C(=O)O.
What is the InChIKey of 2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is JBGWUKMKNIMSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c1-3(2)5-4(6(10)11)9-7(8)12-5/h3H,1-2H3,(H,10,11).
What are the key properties of 2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 205.67 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 2764077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).