4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

C14H24N4O2S — CID 106358505

IUPAC4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C14H24N4O2S/c1-9(2)10(5-8-19)16-13(20)11-12(15)17-14(21-11)18-6-3-4-7-18/h9-10,19H,3-8,15H2,1-2H3,(H,16,20)
InChIKeyKGKPLXOAKFWIRY-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.46
Rot. Bonds6

About 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 106358505) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID106358505
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C14H24N4O2S/c1-9(2)10(5-8-19)16-13(20)11-12(15)17-14(21-11)18-6-3-4-7-18/h9-10,19H,3-8,15H2,1-2H3,(H,16,20)
InChIKeyKGKPLXOAKFWIRY-UHFFFAOYSA-N
XLogP1.46
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-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-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (CID 106358505) is 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is CC(C)C(CCO)NC(=O)c1sc(N2CCCC2)nc1N.
What is the InChIKey of 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KGKPLXOAKFWIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-9(2)10(5-8-19)16-13(20)11-12(15)17-14(21-11)18-6-3-4-7-18/h9-10,19H,3-8,15H2,1-2H3,(H,16,20).
What are the key properties of 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106358505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).