N-[(3S)-3-ethoxy-4-methylpentyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide

C16H22N2O3S — CID 171357980

IUPACN-[(3S)-3-ethoxy-4-methylpentyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
SMILESCCO[C@@H](CCNC(=O)c1csc(-c2ccoc2)n1)C(C)C
InChIInChI=1S/C16H22N2O3S/c1-4-21-14(11(2)3)5-7-17-15(19)13-10-22-16(18-13)12-6-8-20-9-12/h6,8-11,14H,4-5,7H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeyXTEQXKKJSHUCLI-AWEZNQCLSA-N
MW322.43 g/mol
LogP3.58
Rot. Bonds8

About N-[(3S)-3-ethoxy-4-methylpentyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide

N-[(3S)-3-ethoxy-4-methylpentyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 171357980) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[(3S)-3-ethoxy-4-methylpentyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-ethoxy-4-methylpentyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID171357980
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-[(3S)-3-ethoxy-4-methylpentyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
SMILESCCO[C@@H](CCNC(=O)c1csc(-c2ccoc2)n1)C(C)C
InChIInChI=1S/C16H22N2O3S/c1-4-21-14(11(2)3)5-7-17-15(19)13-10-22-16(18-13)12-6-8-20-9-12/h6,8-11,14H,4-5,7H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeyXTEQXKKJSHUCLI-AWEZNQCLSA-N
XLogP3.58
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-3-ethoxy-4-methylpentyl]-2-(furan-3-yl)-1,3-thiazole-4-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 N-[(3S)-3-ethoxy-4-methylpentyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3S)-3-ethoxy-4-methylpentyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide (CID 171357980) is N-[(3S)-3-ethoxy-4-methylpentyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-3-ethoxy-4-methylpentyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3S)-3-ethoxy-4-methylpentyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide is CCO[C@@H](CCNC(=O)c1csc(-c2ccoc2)n1)C(C)C.
What is the InChIKey of N-[(3S)-3-ethoxy-4-methylpentyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is XTEQXKKJSHUCLI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-4-21-14(11(2)3)5-7-17-15(19)13-10-22-16(18-13)12-6-8-20-9-12/h6,8-11,14H,4-5,7H2,1-3H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(3S)-3-ethoxy-4-methylpentyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide?
N-[(3S)-3-ethoxy-4-methylpentyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-ethoxy-4-methylpentyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171357980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).