4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide

C11H11N5OS — CID 164702525

IUPAC4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide
SMILESC/C(=N\NC(=O)c1snnc1C)c1ccccn1
InChIInChI=1S/C11H11N5OS/c1-7(9-5-3-4-6-12-9)13-15-11(17)10-8(2)14-16-18-10/h3-6H,1-2H3,(H,15,17)/b13-7+
InChIKeyYJBQLLKZKIJZEI-NTUHNPAUSA-N
MW261.31 g/mol
LogP1.40
Rot. Bonds3

About 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide

4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide (PubChem CID 164702525) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide
PubChem CID164702525
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide
SMILESC/C(=N\NC(=O)c1snnc1C)c1ccccn1
InChIInChI=1S/C11H11N5OS/c1-7(9-5-3-4-6-12-9)13-15-11(17)10-8(2)14-16-18-10/h3-6H,1-2H3,(H,15,17)/b13-7+
InChIKeyYJBQLLKZKIJZEI-NTUHNPAUSA-N
XLogP1.40
TPSA80.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-chloro-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide
CID 6032250
aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891
3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9461008
3-chloro-6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide
CID 6074187
4-methyl-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]thiadiazole-5-carboxamide
CID 4029155
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914
2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 1352694
5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5416440
(2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide
CID 139074285
3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 4180611
3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5414676

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide (CID 164702525) is 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide is C/C(=N\NC(=O)c1snnc1C)c1ccccn1.
What is the InChIKey of 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide?
The InChIKey is YJBQLLKZKIJZEI-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-7(9-5-3-4-6-12-9)13-15-11(17)10-8(2)14-16-18-10/h3-6H,1-2H3,(H,15,17)/b13-7+.
What are the key properties of 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide?
4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide is sourced from PubChem (CID 164702525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).