N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide

C15H14F2N2O3S2 — CID 9046754

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(C[C@H]1CCS(=O)(=O)C1)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C15H14F2N2O3S2/c16-11-2-1-10(6-12(11)17)13-7-23-15(18-13)19-14(20)5-9-3-4-24(21,22)8-9/h1-2,6-7,9H,3-5,8H2,(H,18,19,20)/t9-/m1/s1
InChIKeyXYRZJYXXTIICCP-SECBINFHSA-N
MW372.42 g/mol
LogP2.85
Rot. Bonds4

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

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 9046754) has the molecular formula C15H14F2N2O3S2 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID9046754
Molecular FormulaC15H14F2N2O3S2
Molecular Weight372.42 g/mol
Exact Mass372.04
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(C[C@H]1CCS(=O)(=O)C1)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C15H14F2N2O3S2/c16-11-2-1-10(6-12(11)17)13-7-23-15(18-13)19-14(20)5-9-3-4-24(21,22)8-9/h1-2,6-7,9H,3-5,8H2,(H,18,19,20)/t9-/m1/s1
InChIKeyXYRZJYXXTIICCP-SECBINFHSA-N
XLogP2.85
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 5053215
(3S)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 40938479
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7222665
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9049138
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 78812999
(3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 51534994
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 9430691
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 8801298
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 33276933
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 18268670
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 16910410
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 30736458

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide (CID 9046754) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide is O=C(C[C@H]1CCS(=O)(=O)C1)Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is XYRZJYXXTIICCP-SECBINFHSA-N. The full InChI is InChI=1S/C15H14F2N2O3S2/c16-11-2-1-10(6-12(11)17)13-7-23-15(18-13)19-14(20)5-9-3-4-24(21,22)8-9/h1-2,6-7,9H,3-5,8H2,(H,18,19,20)/t9-/m1/s1.
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 372.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 9046754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).