N-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide

C15H13N5OS — CID 651392

IUPACN-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(-c2nnc(N(C)C(=O)c3ccccn3)s2)cn1
InChIInChI=1S/C15H13N5OS/c1-10-6-7-11(9-17-10)13-18-19-15(22-13)20(2)14(21)12-5-3-4-8-16-12/h3-9H,1-2H3
InChIKeyKSUYNSQAZYTBAN-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.58
Rot. Bonds3

About N-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide

N-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide (PubChem CID 651392) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is N-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
PubChem CID651392
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC NameN-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(-c2nnc(N(C)C(=O)c3ccccn3)s2)cn1
InChIInChI=1S/C15H13N5OS/c1-10-6-7-11(9-17-10)13-18-19-15(22-13)20(2)14(21)12-5-3-4-8-16-12/h3-9H,1-2H3
InChIKeyKSUYNSQAZYTBAN-UHFFFAOYSA-N
XLogP2.58
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 1447074
N-Methyl-N-(5-pyridin-2-yl-[1,3,4]thiadiazol-2-yl)-nicotinamide
CID 646267
3-Cyano-N-methyl-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 647154
N-Methyl-N-(5-pyridin-2-yl-[1,3,4]thiadiazol-2-yl)-isonicotinamide
CID 649519
3-Cyano-N-methyl-N-(5-pyridin-2-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 650716
N-(2-Methoxy-ethyl)-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 653096
N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 654941
N-Methyl-N-(5-pyridin-2-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1446983
Pyridine-2-carboxylic acid methyl-(5-methyl-[1,3,4]thiadiazol-2-yl)-amide
CID 1447072
N-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)picolinamide
CID 2114403
N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 2114858
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 2121806

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide (CID 651392) is N-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide is Cc1ccc(-c2nnc(N(C)C(=O)c3ccccn3)s2)cn1.
What is the InChIKey of N-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is KSUYNSQAZYTBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-10-6-7-11(9-17-10)13-18-19-15(22-13)20(2)14(21)12-5-3-4-8-16-12/h3-9H,1-2H3.
What are the key properties of N-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
N-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 651392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).