N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide

C11H10N4OS — CID 2114403

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1ccccn1
InChIInChI=1S/C11H10N4OS/c16-9(8-3-1-2-6-12-8)13-11-15-14-10(17-11)7-4-5-7/h1-3,6-7H,4-5H2,(H,13,15,16)
InChIKeyJAQXDSCTRKSCGR-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.06
Rot. Bonds3

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide (PubChem CID 2114403) has the molecular formula C11H10N4OS and a molecular weight of 246.29 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
PubChem CID2114403
Molecular FormulaC11H10N4OS
Molecular Weight246.29 g/mol
Exact Mass246.06
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1ccccn1
InChIInChI=1S/C11H10N4OS/c16-9(8-3-1-2-6-12-8)13-11-15-14-10(17-11)7-4-5-7/h1-3,6-7H,4-5H2,(H,13,15,16)
InChIKeyJAQXDSCTRKSCGR-UHFFFAOYSA-N
XLogP2.06
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-Methyl-N-(5-pyridin-2-yl-[1,3,4]thiadiazol-2-yl)-isonicotinamide
CID 649519
N-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 651392
N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 654941
N2,N6-bis(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide
CID 659567
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-[(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
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 2576428
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 4615339

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide (CID 2114403) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide is O=C(Nc1nnc(C2CC2)s1)c1ccccn1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is JAQXDSCTRKSCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c16-9(8-3-1-2-6-12-8)13-11-15-14-10(17-11)7-4-5-7/h1-3,6-7H,4-5H2,(H,13,15,16).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 246.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 2114403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).