4-cyclopropyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide

C12H12N4OS — CID 25189482

IUPAC4-cyclopropyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1snnc1C1CC1
InChIInChI=1S/C12H12N4OS/c17-12(14-7-9-3-1-2-6-13-9)11-10(8-4-5-8)15-16-18-11/h1-3,6,8H,4-5,7H2,(H,14,17)
InChIKeyXRBZFTNOYRFUFX-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.74
Rot. Bonds4

About 4-cyclopropyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide

4-cyclopropyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide (PubChem CID 25189482) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-cyclopropyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
PubChem CID25189482
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name4-cyclopropyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1snnc1C1CC1
InChIInChI=1S/C12H12N4OS/c17-12(14-7-9-3-1-2-6-13-9)11-10(8-4-5-8)15-16-18-11/h1-3,6,8H,4-5,7H2,(H,14,17)
InChIKeyXRBZFTNOYRFUFX-UHFFFAOYSA-N
XLogP1.74
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide (CID 25189482) is 4-cyclopropyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide is O=C(NCc1ccccn1)c1snnc1C1CC1.
What is the InChIKey of 4-cyclopropyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide?
The InChIKey is XRBZFTNOYRFUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c17-12(14-7-9-3-1-2-6-13-9)11-10(8-4-5-8)15-16-18-11/h1-3,6,8H,4-5,7H2,(H,14,17).
What are the key properties of 4-cyclopropyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide?
4-cyclopropyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 25189482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).