4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide

C14H24N4OS — CID 95221676

IUPAC4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC[C@H]1CCN(CC(C)C)C1
InChIInChI=1S/C14H24N4OS/c1-4-12-13(20-17-16-12)14(19)15-7-11-5-6-18(9-11)8-10(2)3/h10-11H,4-9H2,1-3H3,(H,15,19)/t11-/m1/s1
InChIKeyTWHLLESMHUBJPO-LLVKDONJSA-N
MW296.44 g/mol
LogP1.81
Rot. Bonds6

About 4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide

4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 95221676) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide
PubChem CID95221676
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC[C@H]1CCN(CC(C)C)C1
InChIInChI=1S/C14H24N4OS/c1-4-12-13(20-17-16-12)14(19)15-7-11-5-6-18(9-11)8-10(2)3/h10-11H,4-9H2,1-3H3,(H,15,19)/t11-/m1/s1
InChIKeyTWHLLESMHUBJPO-LLVKDONJSA-N
XLogP1.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-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 4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide (CID 95221676) is 4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC[C@H]1CCN(CC(C)C)C1.
What is the InChIKey of 4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is TWHLLESMHUBJPO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-12-13(20-17-16-12)14(19)15-7-11-5-6-18(9-11)8-10(2)3/h10-11H,4-9H2,1-3H3,(H,15,19)/t11-/m1/s1.
What are the key properties of 4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide?
4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 95221676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).