N-(4-benzyl-5-methylimino-1,3,4-thiadiazol-2-yl)benzamide

C17H16N4OS — CID 10711113

IUPACN-(4-benzyl-5-methylimino-1,3,4-thiadiazol-2-yl)benzamide
SMILESC/N=c1\sc(NC(=O)c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C17H16N4OS/c1-18-17-21(12-13-8-4-2-5-9-13)20-16(23-17)19-15(22)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,19,20,22)/b18-17-
InChIKeyJDVFNTFXPVHTCI-ZCXUNETKSA-N
MW324.41 g/mol
LogP2.78
Rot. Bonds4

About N-(4-benzyl-5-methylimino-1,3,4-thiadiazol-2-yl)benzamide

N-(4-benzyl-5-methylimino-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 10711113) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(4-benzyl-5-methylimino-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-benzyl-5-methylimino-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID10711113
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-(4-benzyl-5-methylimino-1,3,4-thiadiazol-2-yl)benzamide
SMILESC/N=c1\sc(NC(=O)c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C17H16N4OS/c1-18-17-21(12-13-8-4-2-5-9-13)20-16(23-17)19-15(22)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,19,20,22)/b18-17-
InChIKeyJDVFNTFXPVHTCI-ZCXUNETKSA-N
XLogP2.78
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-(4-benzyl-5-methylimino-1,3,4-thiadiazol-2-yl)carbamate
CID 10517757
ethyl (NE)-N-(5-benzamido-3-methyl-1,3,4-thiadiazol-2-ylidene)carbamate
CID 10638343
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide
CID 35524107
N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1034327
N-(2-benzamidoethyl)-1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24659947
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzyl-5-methylpyrazole-3-carboxamide
CID 118715031
N-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 31645970
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
CID 2482039
N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide
CID 2127052
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143

Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-5-methylimino-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of N-(4-benzyl-5-methylimino-1,3,4-thiadiazol-2-yl)benzamide (CID 10711113) is N-(4-benzyl-5-methylimino-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-(4-benzyl-5-methylimino-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for N-(4-benzyl-5-methylimino-1,3,4-thiadiazol-2-yl)benzamide is C/N=c1\sc(NC(=O)c2ccccc2)nn1Cc1ccccc1.
What is the InChIKey of N-(4-benzyl-5-methylimino-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is JDVFNTFXPVHTCI-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-18-17-21(12-13-8-4-2-5-9-13)20-16(23-17)19-15(22)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,19,20,22)/b18-17-.
What are the key properties of N-(4-benzyl-5-methylimino-1,3,4-thiadiazol-2-yl)benzamide?
N-(4-benzyl-5-methylimino-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 324.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-5-methylimino-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 10711113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).