N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide

C17H15FN2O3S — CID 95981184

IUPACN-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccoc2)n1)NC[C@@H](O)c1cccc(F)c1
InChIInChI=1S/C17H15FN2O3S/c18-13-3-1-2-11(6-13)15(21)8-19-16(22)7-14-10-24-17(20-14)12-4-5-23-9-12/h1-6,9-10,15,21H,7-8H2,(H,19,22)/t15-/m1/s1
InChIKeyWFCWSHUMQQLKJP-OAHLLOKOSA-N
MW346.38 g/mol
LogP2.93
Rot. Bonds6

About N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide

N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 95981184) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID95981184
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC NameN-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccoc2)n1)NC[C@@H](O)c1cccc(F)c1
InChIInChI=1S/C17H15FN2O3S/c18-13-3-1-2-11(6-13)15(21)8-19-16(22)7-14-10-24-17(20-14)12-4-5-23-9-12/h1-6,9-10,15,21H,7-8H2,(H,19,22)/t15-/m1/s1
InChIKeyWFCWSHUMQQLKJP-OAHLLOKOSA-N
XLogP2.93
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide 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-(3-fluorophenyl)-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide (CID 95981184) is N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2ccoc2)n1)NC[C@@H](O)c1cccc(F)c1.
What is the InChIKey of N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is WFCWSHUMQQLKJP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c18-13-3-1-2-11(6-13)15(21)8-19-16(22)7-14-10-24-17(20-14)12-4-5-23-9-12/h1-6,9-10,15,21H,7-8H2,(H,19,22)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide?
N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 346.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 95981184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).