2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

C15H15FN2O3S3 — CID 78812999

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H15FN2O3S3/c16-11-3-1-10(2-4-11)13-7-23-15(17-13)18-14(19)8-22-12-5-6-24(20,21)9-12/h1-4,7,12H,5-6,8-9H2,(H,17,18,19)
InChIKeyATOKIXWYSCHAHT-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.81
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 78812999) has the molecular formula C15H15FN2O3S3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID78812999
Molecular FormulaC15H15FN2O3S3
Molecular Weight386.50 g/mol
Exact Mass386.02
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H15FN2O3S3/c16-11-3-1-10(2-4-11)13-7-23-15(17-13)18-14(19)8-22-12-5-6-24(20,21)9-12/h1-4,7,12H,5-6,8-9H2,(H,17,18,19)
InChIKeyATOKIXWYSCHAHT-UHFFFAOYSA-N
XLogP2.81
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-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

Related Compounds

(3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 51534994
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591206
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9046754
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 26071565
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
1-(1,1-dioxothiolan-3-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17442505
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7222665
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
3-[[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 119169710
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide
CID 24593653

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 78812999) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is O=C(CSC1CCS(=O)(=O)C1)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ATOKIXWYSCHAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S3/c16-11-3-1-10(2-4-11)13-7-23-15(17-13)18-14(19)8-22-12-5-6-24(20,21)9-12/h1-4,7,12H,5-6,8-9H2,(H,17,18,19).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78812999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).