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

C12H14N4OS — CID 19224251

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
SMILESCCCCc1nnc(NC(=O)c2ccccn2)s1
InChIInChI=1S/C12H14N4OS/c1-2-3-7-10-15-16-12(18-10)14-11(17)9-6-4-5-8-13-9/h4-6,8H,2-3,7H2,1H3,(H,14,16,17)
InChIKeyMSZQKZWERZRQMG-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.53
Rot. Bonds5

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide (PubChem CID 19224251) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
PubChem CID19224251
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
SMILESCCCCc1nnc(NC(=O)c2ccccn2)s1
InChIInChI=1S/C12H14N4OS/c1-2-3-7-10-15-16-12(18-10)14-11(17)9-6-4-5-8-13-9/h4-6,8H,2-3,7H2,1H3,(H,14,16,17)
InChIKeyMSZQKZWERZRQMG-UHFFFAOYSA-N
XLogP2.53
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 26197186
N-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide
CID 46589806
N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261982
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide
CID 24648214
N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide
CID 24667862
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 134700188
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
CID 26197202
2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 60553366
2-(2-methoxyethoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 60567241
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 146128553

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide (CID 19224251) is N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide is CCCCc1nnc(NC(=O)c2ccccn2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is MSZQKZWERZRQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-3-7-10-15-16-12(18-10)14-11(17)9-6-4-5-8-13-9/h4-6,8H,2-3,7H2,1H3,(H,14,16,17).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 19224251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).