5-hydroxy-3-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]imidazole-4-carboxamide

C17H16N4O3S — CID 25030228

IUPAC5-hydroxy-3-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]imidazole-4-carboxamide
SMILESNC(=O)c1c(O)ncn1Cc1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C17H16N4O3S/c18-16(23)15-17(24)19-10-21(15)9-11-3-5-12(6-4-11)20-14(22)8-13-2-1-7-25-13/h1-7,10,24H,8-9H2,(H2,18,23)(H,20,22)
InChIKeyUGTJVACVPDRFNQ-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.98
Rot. Bonds6

About 5-hydroxy-3-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]imidazole-4-carboxamide

5-hydroxy-3-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]imidazole-4-carboxamide (PubChem CID 25030228) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 5-hydroxy-3-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-3-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]imidazole-4-carboxamide
PubChem CID25030228
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name5-hydroxy-3-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]imidazole-4-carboxamide
SMILESNC(=O)c1c(O)ncn1Cc1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C17H16N4O3S/c18-16(23)15-17(24)19-10-21(15)9-11-3-5-12(6-4-11)20-14(22)8-13-2-1-7-25-13/h1-7,10,24H,8-9H2,(H2,18,23)(H,20,22)
InChIKeyUGTJVACVPDRFNQ-UHFFFAOYSA-N
XLogP1.98
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-thiophen-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 36516876
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide
CID 76938616
2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide
CID 3108904
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 43175462
N-[4-(2-methoxyethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 47183041
N-(6-fluoro-3-pyridinyl)-2-thiophen-2-ylacetamide
CID 103789992
N,N-dimethyl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 8698592
N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide
CID 112986929
N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 115268484
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 46042185
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113047543

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of 5-hydroxy-3-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]imidazole-4-carboxamide (CID 25030228) is 5-hydroxy-3-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-hydroxy-3-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 5-hydroxy-3-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]imidazole-4-carboxamide is NC(=O)c1c(O)ncn1Cc1ccc(NC(=O)Cc2cccs2)cc1.
What is the InChIKey of 5-hydroxy-3-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is UGTJVACVPDRFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c18-16(23)15-17(24)19-10-21(15)9-11-3-5-12(6-4-11)20-14(22)8-13-2-1-7-25-13/h1-7,10,24H,8-9H2,(H2,18,23)(H,20,22).
What are the key properties of 5-hydroxy-3-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]imidazole-4-carboxamide?
5-hydroxy-3-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 25030228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).