3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide

C14H22N4OS — CID 130365335

IUPAC3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide
SMILESCC(C)N1C[C@@H](C)[C@@H](NC(=O)c2nc(C3CC3)ns2)C1
InChIInChI=1S/C14H22N4OS/c1-8(2)18-6-9(3)11(7-18)15-13(19)14-16-12(17-20-14)10-4-5-10/h8-11H,4-7H2,1-3H3,(H,15,19)/t9-,11+/m1/s1
InChIKeyUNKKAXPEXGGBRR-KOLCDFICSA-N
MW294.42 g/mol
LogP1.87
Rot. Bonds4

About 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide

3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide (PubChem CID 130365335) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide
PubChem CID130365335
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide
SMILESCC(C)N1C[C@@H](C)[C@@H](NC(=O)c2nc(C3CC3)ns2)C1
InChIInChI=1S/C14H22N4OS/c1-8(2)18-6-9(3)11(7-18)15-13(19)14-16-12(17-20-14)10-4-5-10/h8-11H,4-7H2,1-3H3,(H,15,19)/t9-,11+/m1/s1
InChIKeyUNKKAXPEXGGBRR-KOLCDFICSA-N
XLogP1.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide (CID 130365335) is 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide is CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2nc(C3CC3)ns2)C1.
What is the InChIKey of 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is UNKKAXPEXGGBRR-KOLCDFICSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-8(2)18-6-9(3)11(7-18)15-13(19)14-16-12(17-20-14)10-4-5-10/h8-11H,4-7H2,1-3H3,(H,15,19)/t9-,11+/m1/s1.
What are the key properties of 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide?
3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 130365335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).