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

C12H12N4OS2 — CID 2161642

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C12H12N4OS2/c1-18-11-8(3-2-6-13-11)9(17)14-12-16-15-10(19-12)7-4-5-7/h2-3,6-7H,4-5H2,1H3,(H,14,16,17)
InChIKeyMDOIUGOTSOUZKL-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.78
Rot. Bonds4

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2161642) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2161642
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C12H12N4OS2/c1-18-11-8(3-2-6-13-11)9(17)14-12-16-15-10(19-12)7-4-5-7/h2-3,6-7H,4-5H2,1H3,(H,14,16,17)
InChIKeyMDOIUGOTSOUZKL-UHFFFAOYSA-N
XLogP2.78
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide (CID 2161642) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is MDOIUGOTSOUZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c1-18-11-8(3-2-6-13-11)9(17)14-12-16-15-10(19-12)7-4-5-7/h2-3,6-7H,4-5H2,1H3,(H,14,16,17).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 292.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2161642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).