4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylic acid

C9H7NO2S2 — CID 2763746

IUPAC4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2cccs2)sc1C(=O)O
InChIInChI=1S/C9H7NO2S2/c1-5-7(9(11)12)14-8(10-5)6-3-2-4-13-6/h2-4H,1H3,(H,11,12)
InChIKeyDSMGYNWKEJBPKW-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.88
Rot. Bonds2

About 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylic acid

4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 2763746) has the molecular formula C9H7NO2S2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID2763746
Molecular FormulaC9H7NO2S2
Molecular Weight225.29 g/mol
Exact Mass224.99
IUPAC Name4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2cccs2)sc1C(=O)O
InChIInChI=1S/C9H7NO2S2/c1-5-7(9(11)12)14-8(10-5)6-3-2-4-13-6/h2-4H,1H3,(H,11,12)
InChIKeyDSMGYNWKEJBPKW-UHFFFAOYSA-N
XLogP2.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylic acid (CID 2763746) is 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2cccs2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is DSMGYNWKEJBPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S2/c1-5-7(9(11)12)14-8(10-5)6-3-2-4-13-6/h2-4H,1H3,(H,11,12).
What are the key properties of 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylic acid?
4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 2763746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).