2,4-dimethyl-1,3-thiazole-5-carboxylic acid

C6H7NO2S — CID 736488

IUPAC2,4-dimethyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C6H7NO2S/c1-3-5(6(8)9)10-4(2)7-3/h1-2H3,(H,8,9)
InChIKeyMQGBARXPCXAFRZ-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.46
Rot. Bonds1

About 2,4-dimethyl-1,3-thiazole-5-carboxylic acid

2,4-dimethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 736488) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-1,3-thiazole-5-carboxylic acid
PubChem CID736488
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name2,4-dimethyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C6H7NO2S/c1-3-5(6(8)9)10-4(2)7-3/h1-2H3,(H,8,9)
InChIKeyMQGBARXPCXAFRZ-UHFFFAOYSA-N
XLogP1.46
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2,4-dimethyl-1,3-thiazole-5-carboxylic acid (CID 736488) is 2,4-dimethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-1,3-thiazole-5-carboxylic acid is Cc1nc(C)c(C(=O)O)s1.
What is the InChIKey of 2,4-dimethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is MQGBARXPCXAFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-3-5(6(8)9)10-4(2)7-3/h1-2H3,(H,8,9).
What are the key properties of 2,4-dimethyl-1,3-thiazole-5-carboxylic acid?
2,4-dimethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 157.19 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 736488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).