N-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide

C17H16N2O3S — CID 91293700

IUPACN-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide
SMILESCC(C(=O)N[C@H]1N=CCS1)c1cccc(C(=O)c2ccco2)c1
InChIInChI=1S/C17H16N2O3S/c1-11(16(21)19-17-18-7-9-23-17)12-4-2-5-13(10-12)15(20)14-6-3-8-22-14/h2-8,10-11,17H,9H2,1H3,(H,19,21)/t11?,17-/m1/s1
InChIKeyLCDNWYYPCWNJKI-DFDFJRDNSA-N
MW328.39 g/mol
LogP2.83
Rot. Bonds5

About N-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide

N-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide (PubChem CID 91293700) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide
PubChem CID91293700
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide
SMILESCC(C(=O)N[C@H]1N=CCS1)c1cccc(C(=O)c2ccco2)c1
InChIInChI=1S/C17H16N2O3S/c1-11(16(21)19-17-18-7-9-23-17)12-4-2-5-13(10-12)15(20)14-6-3-8-22-14/h2-8,10-11,17H,9H2,1H3,(H,19,21)/t11?,17-/m1/s1
InChIKeyLCDNWYYPCWNJKI-DFDFJRDNSA-N
XLogP2.83
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide 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-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide?
The IUPAC name of N-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide (CID 91293700) is N-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide.
What is the SMILES notation for N-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide?
The canonical SMILES for N-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide is CC(C(=O)N[C@H]1N=CCS1)c1cccc(C(=O)c2ccco2)c1.
What is the InChIKey of N-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide?
The InChIKey is LCDNWYYPCWNJKI-DFDFJRDNSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-11(16(21)19-17-18-7-9-23-17)12-4-2-5-13(10-12)15(20)14-6-3-8-22-14/h2-8,10-11,17H,9H2,1H3,(H,19,21)/t11?,17-/m1/s1.
What are the key properties of N-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide?
N-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide has a molecular weight of 328.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,5-dihydro-1,3-thiazol-2-yl]-2-[3-(furan-2-carbonyl)phenyl]propanamide is sourced from PubChem (CID 91293700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).