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

C14H22N4OS — CID 130365440

IUPAC5-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide
SMILESCC(C)N1C[C@@H](C)[C@@H](NC(=O)c2nsc(C3CC3)n2)C1
InChIInChI=1S/C14H22N4OS/c1-8(2)18-6-9(3)11(7-18)15-13(19)12-16-14(20-17-12)10-4-5-10/h8-11H,4-7H2,1-3H3,(H,15,19)/t9-,11+/m1/s1
InChIKeyOGVGLUHDIDMOKP-KOLCDFICSA-N
MW294.42 g/mol
LogP1.87
Rot. Bonds4

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

5-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide (PubChem CID 130365440) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide
PubChem CID130365440
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name5-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide
SMILESCC(C)N1C[C@@H](C)[C@@H](NC(=O)c2nsc(C3CC3)n2)C1
InChIInChI=1S/C14H22N4OS/c1-8(2)18-6-9(3)11(7-18)15-13(19)12-16-14(20-17-12)10-4-5-10/h8-11H,4-7H2,1-3H3,(H,15,19)/t9-,11+/m1/s1
InChIKeyOGVGLUHDIDMOKP-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide (CID 130365440) is 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide is CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2nsc(C3CC3)n2)C1.
What is the InChIKey of 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide?
The InChIKey is OGVGLUHDIDMOKP-KOLCDFICSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-8(2)18-6-9(3)11(7-18)15-13(19)12-16-14(20-17-12)10-4-5-10/h8-11H,4-7H2,1-3H3,(H,15,19)/t9-,11+/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide?
5-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-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 5-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide is sourced from PubChem (CID 130365440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).