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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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).