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

C15H15FN2O3S3 — CID 2591206

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccc(F)cc2)cs1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H15FN2O3S3/c16-11-3-1-10(2-4-11)13-7-22-15(18-13)23-8-14(19)17-12-5-6-24(20,21)9-12/h1-4,7,12H,5-6,8-9H2,(H,17,19)/t12-/m1/s1
InChIKeyRQWRJQRAKQPBRY-GFCCVEGCSA-N
MW386.50 g/mol
LogP2.34
Rot. Bonds5

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

N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (PubChem CID 2591206) has the molecular formula C15H15FN2O3S3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
PubChem CID2591206
Molecular FormulaC15H15FN2O3S3
Molecular Weight386.50 g/mol
Exact Mass386.02
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccc(F)cc2)cs1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H15FN2O3S3/c16-11-3-1-10(2-4-11)13-7-22-15(18-13)23-8-14(19)17-12-5-6-24(20,21)9-12/h1-4,7,12H,5-6,8-9H2,(H,17,19)/t12-/m1/s1
InChIKeyRQWRJQRAKQPBRY-GFCCVEGCSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]acetamide
CID 31613631
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 112795271
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 27185048
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 78812999
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(4-fluorophenyl)pyrazol-1-yl]acetamide
CID 95304705
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2549273
N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4544119
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7857133
(3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 51534994
N-[(2S)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591185
N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 18777491
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9376761

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (CID 2591206) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nc(-c2ccc(F)cc2)cs1)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The InChIKey is RQWRJQRAKQPBRY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15FN2O3S3/c16-11-3-1-10(2-4-11)13-7-22-15(18-13)23-8-14(19)17-12-5-6-24(20,21)9-12/h1-4,7,12H,5-6,8-9H2,(H,17,19)/t12-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2591206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).