4-benzoyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide

C16H14N4O2S — CID 100623674

IUPAC4-benzoyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide
SMILESC[C@H](NC(=O)c1[nH]cnc1C(=O)c1ccccc1)c1nccs1
InChIInChI=1S/C16H14N4O2S/c1-10(16-17-7-8-23-16)20-15(22)13-12(18-9-19-13)14(21)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19)(H,20,22)/t10-/m0/s1
InChIKeyFECVLCASQFGAJK-JTQLQIEISA-N
MW326.38 g/mol
LogP2.59
Rot. Bonds5

About 4-benzoyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide

4-benzoyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide (PubChem CID 100623674) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-benzoyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide
PubChem CID100623674
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name4-benzoyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide
SMILESC[C@H](NC(=O)c1[nH]cnc1C(=O)c1ccccc1)c1nccs1
InChIInChI=1S/C16H14N4O2S/c1-10(16-17-7-8-23-16)20-15(22)13-12(18-9-19-13)14(21)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19)(H,20,22)/t10-/m0/s1
InChIKeyFECVLCASQFGAJK-JTQLQIEISA-N
XLogP2.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-benzoyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide (CID 100623674) is 4-benzoyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-benzoyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-benzoyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide is C[C@H](NC(=O)c1[nH]cnc1C(=O)c1ccccc1)c1nccs1.
What is the InChIKey of 4-benzoyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide?
The InChIKey is FECVLCASQFGAJK-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-10(16-17-7-8-23-16)20-15(22)13-12(18-9-19-13)14(21)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19)(H,20,22)/t10-/m0/s1.
What are the key properties of 4-benzoyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide?
4-benzoyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 100623674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).