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

C11H12N4OS — CID 807237

IUPACN-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCCc1nnc(NC(=O)c2cccnc2)s1
InChIInChI=1S/C11H12N4OS/c1-2-4-9-14-15-11(17-9)13-10(16)8-5-3-6-12-7-8/h3,5-7H,2,4H2,1H3,(H,13,15,16)
InChIKeyGHIXIJNAUIAIHJ-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.14
Rot. Bonds4

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

N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 807237) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID807237
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCCc1nnc(NC(=O)c2cccnc2)s1
InChIInChI=1S/C11H12N4OS/c1-2-4-9-14-15-11(17-9)13-10(16)8-5-3-6-12-7-8/h3,5-7H,2,4H2,1H3,(H,13,15,16)
InChIKeyGHIXIJNAUIAIHJ-UHFFFAOYSA-N
XLogP2.14
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 807237) is N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CCCc1nnc(NC(=O)c2cccnc2)s1.
What is the InChIKey of N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is GHIXIJNAUIAIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-2-4-9-14-15-11(17-9)13-10(16)8-5-3-6-12-7-8/h3,5-7H,2,4H2,1H3,(H,13,15,16).
What are the key properties of N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 807237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).