N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C18H15FN2OS2 — CID 4823804

IUPACN-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(CSc2ccccc2F)cs1
InChIInChI=1S/C18H15FN2OS2/c1-13(22)21(15-7-3-2-4-8-15)18-20-14(12-24-18)11-23-17-10-6-5-9-16(17)19/h2-10,12H,11H2,1H3
InChIKeyGKXDNKVAQCAHPK-UHFFFAOYSA-N
MW358.46 g/mol
LogP5.26
Rot. Bonds5

About N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide

N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 4823804) has the molecular formula C18H15FN2OS2 and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID4823804
Molecular FormulaC18H15FN2OS2
Molecular Weight358.46 g/mol
Exact Mass358.06
IUPAC NameN-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(CSc2ccccc2F)cs1
InChIInChI=1S/C18H15FN2OS2/c1-13(22)21(15-7-3-2-4-8-15)18-20-14(12-24-18)11-23-17-10-6-5-9-16(17)19/h2-10,12H,11H2,1H3
InChIKeyGKXDNKVAQCAHPK-UHFFFAOYSA-N
XLogP5.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide 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-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 4823804) is N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)c1nc(CSc2ccccc2F)cs1.
What is the InChIKey of N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is GKXDNKVAQCAHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS2/c1-13(22)21(15-7-3-2-4-8-15)18-20-14(12-24-18)11-23-17-10-6-5-9-16(17)19/h2-10,12H,11H2,1H3.
What are the key properties of N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 358.46 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 4823804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).