5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid

C9H7NO3S2 — CID 130704950

IUPAC5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)cs2)sn1
InChIInChI=1S/C9H7NO3S2/c1-13-8-3-7(15-10-8)6-2-5(4-14-6)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyUYOWRIBXVUKPEJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.58
Rot. Bonds3

About 5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid

5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid (PubChem CID 130704950) has the molecular formula C9H7NO3S2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid
PubChem CID130704950
Molecular FormulaC9H7NO3S2
Molecular Weight241.29 g/mol
Exact Mass240.99
IUPAC Name5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)cs2)sn1
InChIInChI=1S/C9H7NO3S2/c1-13-8-3-7(15-10-8)6-2-5(4-14-6)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyUYOWRIBXVUKPEJ-UHFFFAOYSA-N
XLogP2.58
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxy-1,2-thiazol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 130874646
5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid
CID 98021688
5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid
CID 98020174
5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid
CID 98021686
5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid
CID 79684046
5-(3-methoxy-1,2-thiazol-5-yl)-1H-pyrimidin-2-one
CID 137269308
2-methoxy-6-methylpyridine-4-carboxylic acid;hydrochloride
CID 112756430
5-(3,5-difluorophenyl)thiophene-3-carboxylic acid
CID 79683650
5-pyridin-2-ylthiophene-3-carboxylic acid
CID 79684127
2-[(3-methoxy-1,2-thiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid
CID 166254526
5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid
CID 90285447
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid (CID 130704950) is 5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid is COc1cc(-c2cc(C(=O)O)cs2)sn1.
What is the InChIKey of 5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid?
The InChIKey is UYOWRIBXVUKPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S2/c1-13-8-3-7(15-10-8)6-2-5(4-14-6)9(11)12/h2-4H,1H3,(H,11,12).
What are the key properties of 5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid?
5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 130704950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).