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

C12H14N4OS — CID 146128553

IUPAC3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
SMILESCCCc1nnc(NC(=O)c2ncccc2C)s1
InChIInChI=1S/C12H14N4OS/c1-3-5-9-15-16-12(18-9)14-11(17)10-8(2)6-4-7-13-10/h4,6-7H,3,5H2,1-2H3,(H,14,16,17)
InChIKeyBBEFVMIIUPGKFP-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.45
Rot. Bonds4

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

3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide (PubChem CID 146128553) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
PubChem CID146128553
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
SMILESCCCc1nnc(NC(=O)c2ncccc2C)s1
InChIInChI=1S/C12H14N4OS/c1-3-5-9-15-16-12(18-9)14-11(17)10-8(2)6-4-7-13-10/h4,6-7H,3,5H2,1-2H3,(H,14,16,17)
InChIKeyBBEFVMIIUPGKFP-UHFFFAOYSA-N
XLogP2.45
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.45
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-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 154866590
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 34109190
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea
CID 110491785
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564
N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide
CID 24667862
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
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide
CID 168866614

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide (CID 146128553) is 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide is CCCc1nnc(NC(=O)c2ncccc2C)s1.
What is the InChIKey of 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is BBEFVMIIUPGKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-3-5-9-15-16-12(18-9)14-11(17)10-8(2)6-4-7-13-10/h4,6-7H,3,5H2,1-2H3,(H,14,16,17).
What are the key properties of 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 146128553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).