3-[[2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid

C12H11N3O4S2 — CID 39175981

IUPAC3-[[2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C12H11N3O4S2/c16-9(17)3-4-13-10(18)7-6-21-12(14-7)15-11(19)8-2-1-5-20-8/h1-2,5-6H,3-4H2,(H,13,18)(H,16,17)(H,14,15,19)
InChIKeyXFVQRWMOAUMSIH-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.66
Rot. Bonds6

About 3-[[2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid

3-[[2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid (PubChem CID 39175981) has the molecular formula C12H11N3O4S2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[[2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
PubChem CID39175981
Molecular FormulaC12H11N3O4S2
Molecular Weight325.37 g/mol
Exact Mass325.02
IUPAC Name3-[[2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C12H11N3O4S2/c16-9(17)3-4-13-10(18)7-6-21-12(14-7)15-11(19)8-2-1-5-20-8/h1-2,5-6H,3-4H2,(H,13,18)(H,16,17)(H,14,15,19)
InChIKeyXFVQRWMOAUMSIH-UHFFFAOYSA-N
XLogP1.66
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxamide
CID 16915451
4-[(2-benzamido-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 39182218
3-[[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 39176012
3-[[2-(2-methylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 82033235
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
3-[[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 42813686
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
CID 108542652
N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229017
N-(2-hydroxyethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555751
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17414617
4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid
CID 65284024

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid (CID 39175981) is 3-[[2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)c1csc(NC(=O)c2cccs2)n1.
What is the InChIKey of 3-[[2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid?
The InChIKey is XFVQRWMOAUMSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S2/c16-9(17)3-4-13-10(18)7-6-21-12(14-7)15-11(19)8-2-1-5-20-8/h1-2,5-6H,3-4H2,(H,13,18)(H,16,17)(H,14,15,19).
What are the key properties of 3-[[2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid?
3-[[2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid has a molecular weight of 325.37 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 39175981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).