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

C9H7NO2S2 — CID 130963902

IUPAC5-methyl-4-thiophen-3-yl-1,3-thiazole-2-carboxylic acid
SMILESCc1sc(C(=O)O)nc1-c1ccsc1
InChIInChI=1S/C9H7NO2S2/c1-5-7(6-2-3-13-4-6)10-8(14-5)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyLDQPOONCDZLLGN-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.88
Rot. Bonds2

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

5-methyl-4-thiophen-3-yl-1,3-thiazole-2-carboxylic acid (PubChem CID 130963902) has the molecular formula C9H7NO2S2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-methyl-4-thiophen-3-yl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-thiophen-3-yl-1,3-thiazole-2-carboxylic acid
PubChem CID130963902
Molecular FormulaC9H7NO2S2
Molecular Weight225.29 g/mol
Exact Mass224.99
IUPAC Name5-methyl-4-thiophen-3-yl-1,3-thiazole-2-carboxylic acid
SMILESCc1sc(C(=O)O)nc1-c1ccsc1
InChIInChI=1S/C9H7NO2S2/c1-5-7(6-2-3-13-4-6)10-8(14-5)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyLDQPOONCDZLLGN-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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Related Compounds

5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid
CID 79023710
(5-methyl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106270
4,6-dimethyl-2-thiophen-3-ylpyrimidine-5-carboxylic acid
CID 62745767
1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone
CID 63524041
5-thiophen-3-yl-2H-triazole-4-carboxylic acid
CID 121199559
1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 63525974
1-(4-bromo-2-methylphenyl)-3-thiophen-3-ylpyrazole-4-carboxylic acid
CID 104508757
1-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 116867514
5-methyl-2-thiophen-3-ylbenzoic acid
CID 53224821
5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde
CID 123356431
4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid
CID 165461215
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-thiophen-3-yl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-methyl-4-thiophen-3-yl-1,3-thiazole-2-carboxylic acid (CID 130963902) is 5-methyl-4-thiophen-3-yl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-thiophen-3-yl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-thiophen-3-yl-1,3-thiazole-2-carboxylic acid is Cc1sc(C(=O)O)nc1-c1ccsc1.
What is the InChIKey of 5-methyl-4-thiophen-3-yl-1,3-thiazole-2-carboxylic acid?
The InChIKey is LDQPOONCDZLLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S2/c1-5-7(6-2-3-13-4-6)10-8(14-5)9(11)12/h2-4H,1H3,(H,11,12).
What are the key properties of 5-methyl-4-thiophen-3-yl-1,3-thiazole-2-carboxylic acid?
5-methyl-4-thiophen-3-yl-1,3-thiazole-2-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 5-methyl-4-thiophen-3-yl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 130963902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).