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

C11H12N4OS — CID 1451542

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2cccnc2)s1
InChIInChI=1S/C11H12N4OS/c1-7(2)10-14-15-11(17-10)13-9(16)8-4-3-5-12-6-8/h3-7H,1-2H3,(H,13,15,16)
InChIKeyQEURWAOCGIZPBU-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.31
Rot. Bonds3

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

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 1451542) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID1451542
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2cccnc2)s1
InChIInChI=1S/C11H12N4OS/c1-7(2)10-14-15-11(17-10)13-9(16)8-4-3-5-12-6-8/h3-7H,1-2H3,(H,13,15,16)
InChIKeyQEURWAOCGIZPBU-UHFFFAOYSA-N
XLogP2.31
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 1451542) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CC(C)c1nnc(NC(=O)c2cccnc2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is QEURWAOCGIZPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7(2)10-14-15-11(17-10)13-9(16)8-4-3-5-12-6-8/h3-7H,1-2H3,(H,13,15,16).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 1451542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).