4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid

C11H12N2O4S3 — CID 80655544

IUPAC4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C11H12N2O4S3/c14-9(15)4-1-3-8-7-19-11(12-8)13-20(16,17)10-5-2-6-18-10/h2,5-7H,1,3-4H2,(H,12,13)(H,14,15)
InChIKeyZLLRRAHZMXFHQU-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.41
Rot. Bonds7

About 4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid

4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid (PubChem CID 80655544) has the molecular formula C11H12N2O4S3 and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid
PubChem CID80655544
Molecular FormulaC11H12N2O4S3
Molecular Weight332.43 g/mol
Exact Mass332.00
IUPAC Name4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C11H12N2O4S3/c14-9(15)4-1-3-8-7-19-11(12-8)13-20(16,17)10-5-2-6-18-10/h2,5-7H,1,3-4H2,(H,12,13)(H,14,15)
InChIKeyZLLRRAHZMXFHQU-UHFFFAOYSA-N
XLogP2.41
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid
CID 80655396
methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624509
4-[2-(cyanomethylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655446
4-[2-(3-methylsulfonylpropanoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656276
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
methyl 4-[2-(1H-pyrazol-5-ylsulfonylamino)-1,3-thiazol-4-yl]butanoate
CID 102693711
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 8603530
4-[2-(4-methoxybutanoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655638
4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656589
N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
CID 42109082
4-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 18322950
4-[2-(1H-pyrrole-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655849

Frequently Asked Questions

What is the IUPAC name of 4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid (CID 80655544) is 4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid is O=C(O)CCCc1csc(NS(=O)(=O)c2cccs2)n1.
What is the InChIKey of 4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is ZLLRRAHZMXFHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S3/c14-9(15)4-1-3-8-7-19-11(12-8)13-20(16,17)10-5-2-6-18-10/h2,5-7H,1,3-4H2,(H,12,13)(H,14,15).
What are the key properties of 4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid?
4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 332.43 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 80655544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).