N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide

C12H10N6OS — CID 75389637

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide
SMILESCc1nnc(NC(=O)c2cccc(-n3ccnn3)c2)s1
InChIInChI=1S/C12H10N6OS/c1-8-15-16-12(20-8)14-11(19)9-3-2-4-10(7-9)18-6-5-13-17-18/h2-7H,1H3,(H,14,16,19)
InChIKeyGOKWZMNVGUOAGS-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.68
Rot. Bonds3

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide (PubChem CID 75389637) has the molecular formula C12H10N6OS and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide
PubChem CID75389637
Molecular FormulaC12H10N6OS
Molecular Weight286.32 g/mol
Exact Mass286.06
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide
SMILESCc1nnc(NC(=O)c2cccc(-n3ccnn3)c2)s1
InChIInChI=1S/C12H10N6OS/c1-8-15-16-12(20-8)14-11(19)9-3-2-4-10(7-9)18-6-5-13-17-18/h2-7H,1H3,(H,14,16,19)
InChIKeyGOKWZMNVGUOAGS-UHFFFAOYSA-N
XLogP1.68
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
CID 46493816
N-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide
CID 75514102
N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide
CID 97243759
N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2449777
4-hydroxy-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 113357489
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 26209796
N-(1-methyl-4-nitropyrazol-5-yl)-3-(triazol-1-yl)benzamide
CID 99834148
3-methyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 3290505
3-(cyanomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179662
N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide
CID 99816183
N-[(2R)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide
CID 99816184
2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 16644458

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide (CID 75389637) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide is Cc1nnc(NC(=O)c2cccc(-n3ccnn3)c2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide?
The InChIKey is GOKWZMNVGUOAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS/c1-8-15-16-12(20-8)14-11(19)9-3-2-4-10(7-9)18-6-5-13-17-18/h2-7H,1H3,(H,14,16,19).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide has a molecular weight of 286.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide is sourced from PubChem (CID 75389637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).