N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide

C13H11N5OS — CID 84595607

IUPACN-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide
SMILESO=C(NCc1ccccc1-n1ccnc1)c1csnn1
InChIInChI=1S/C13H11N5OS/c19-13(11-8-20-17-16-11)15-7-10-3-1-2-4-12(10)18-6-5-14-9-18/h1-6,8-9H,7H2,(H,15,19)
InChIKeyZVZRPCYTUQAPAE-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.65
Rot. Bonds4

About N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide

N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide (PubChem CID 84595607) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide
PubChem CID84595607
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide
SMILESO=C(NCc1ccccc1-n1ccnc1)c1csnn1
InChIInChI=1S/C13H11N5OS/c19-13(11-8-20-17-16-11)15-7-10-3-1-2-4-12(10)18-6-5-14-9-18/h1-6,8-9H,7H2,(H,15,19)
InChIKeyZVZRPCYTUQAPAE-UHFFFAOYSA-N
XLogP1.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389
N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131924662
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 136514293
N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 92680048
N-[(2-imidazol-1-ylphenyl)methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 92671810
2-[(2-chlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 30388148
(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94658479
3-(benzenesulfonamido)-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 28565306
N-[(2-imidazol-1-ylphenyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50983614
3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide
CID 136578908
N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide
CID 60576964

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide (CID 84595607) is N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide is O=C(NCc1ccccc1-n1ccnc1)c1csnn1.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide?
The InChIKey is ZVZRPCYTUQAPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c19-13(11-8-20-17-16-11)15-7-10-3-1-2-4-12(10)18-6-5-14-9-18/h1-6,8-9H,7H2,(H,15,19).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide?
N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 84595607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).