2-methyl-N-[5-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide

C18H16N6O2S — CID 6866332

IUPAC2-methyl-N-[5-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2ccncc2)s1
InChIInChI=1S/C18H16N6O2S/c1-12-4-2-3-5-14(12)17(26)21-18-24-23-16(27-18)10-15(25)22-20-11-13-6-8-19-9-7-13/h2-9,11H,10H2,1H3,(H,22,25)(H,21,24,26)/b20-11+
InChIKeyOFNLQZAVHSOHAZ-RGVLZGJSSA-N
MW380.43 g/mol
LogP2.19
Rot. Bonds6

About 2-methyl-N-[5-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide

2-methyl-N-[5-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 6866332) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-methyl-N-[5-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[5-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID6866332
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC Name2-methyl-N-[5-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2ccncc2)s1
InChIInChI=1S/C18H16N6O2S/c1-12-4-2-3-5-14(12)17(26)21-18-24-23-16(27-18)10-15(25)22-20-11-13-6-8-19-9-7-13/h2-9,11H,10H2,1H3,(H,22,25)(H,21,24,26)/b20-11+
InChIKeyOFNLQZAVHSOHAZ-RGVLZGJSSA-N
XLogP2.19
TPSA109.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)nicotinamide
CID 1387083
N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 659441
N'-[2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 1455166
2-phenyl-N-[5-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982574
2-phenyl-N-[5-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982575
N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide
CID 118716313
N'-hydroxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)octanediamide
CID 118716314
3-Cyano-N-methyl-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 647154
N-(2-Methoxy-ethyl)-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 653096
3-Methyl-but-2-enoic acid (5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-amide
CID 653655
N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 860498
N-butyl-4-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3212803

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[5-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide (CID 6866332) is 2-methyl-N-[5-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[5-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[5-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide is Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C/c2ccncc2)s1.
What is the InChIKey of 2-methyl-N-[5-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is OFNLQZAVHSOHAZ-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H16N6O2S/c1-12-4-2-3-5-14(12)17(26)21-18-24-23-16(27-18)10-15(25)22-20-11-13-6-8-19-9-7-13/h2-9,11H,10H2,1H3,(H,22,25)(H,21,24,26)/b20-11+.
What are the key properties of 2-methyl-N-[5-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide?
2-methyl-N-[5-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 380.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 6866332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).