4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid

C12H12N2O3S2 — CID 80656589

IUPAC4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NC(=O)c2ccsc2)n1
InChIInChI=1S/C12H12N2O3S2/c15-10(16)3-1-2-9-7-19-12(13-9)14-11(17)8-4-5-18-6-8/h4-7H,1-3H2,(H,15,16)(H,13,14,17)
InChIKeyLJDKHIPVZUSZKH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.86
Rot. Bonds6

About 4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid

4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid (PubChem CID 80656589) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
PubChem CID80656589
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NC(=O)c2ccsc2)n1
InChIInChI=1S/C12H12N2O3S2/c15-10(16)3-1-2-9-7-19-12(13-9)14-11(17)8-4-5-18-6-8/h4-7H,1-3H2,(H,15,16)(H,13,14,17)
InChIKeyLJDKHIPVZUSZKH-UHFFFAOYSA-N
XLogP2.86
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
4-[2-(1H-pyrrole-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655849
4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656079
4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655852
4-[2-[(5-bromopyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655686
4-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655489
4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655774
4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80656217
4-[2-(4-methoxybutanoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655638
4-[2-(3-methylsulfonylpropanoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656276
4-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655690
4-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 18322950

Frequently Asked Questions

What is the IUPAC name of 4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid (CID 80656589) is 4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid is O=C(O)CCCc1csc(NC(=O)c2ccsc2)n1.
What is the InChIKey of 4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is LJDKHIPVZUSZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c15-10(16)3-1-2-9-7-19-12(13-9)14-11(17)8-4-5-18-6-8/h4-7H,1-3H2,(H,15,16)(H,13,14,17).
What are the key properties of 4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid?
4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 296.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 80656589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).