(3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide

C14H13FN2O3S2 — CID 51534994

IUPAC(3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H13FN2O3S2/c15-11-3-1-9(2-4-11)12-7-21-14(16-12)17-13(18)10-5-6-22(19,20)8-10/h1-4,7,10H,5-6,8H2,(H,16,17,18)/t10-/m0/s1
InChIKeyIFOFXRSJVQFAPU-JTQLQIEISA-N
MW340.40 g/mol
LogP2.32
Rot. Bonds3

About (3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide

(3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 51534994) has the molecular formula C14H13FN2O3S2 and a molecular weight of 340.40 g/mol. Its IUPAC name is (3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
PubChem CID51534994
Molecular FormulaC14H13FN2O3S2
Molecular Weight340.40 g/mol
Exact Mass340.04
IUPAC Name(3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H13FN2O3S2/c15-11-3-1-9(2-4-11)12-7-21-14(16-12)17-13(18)10-5-6-22(19,20)8-10/h1-4,7,10H,5-6,8H2,(H,16,17,18)/t10-/m0/s1
InChIKeyIFOFXRSJVQFAPU-JTQLQIEISA-N
XLogP2.32
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide (CID 51534994) is (3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide is O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is IFOFXRSJVQFAPU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13FN2O3S2/c15-11-3-1-9(2-4-11)12-7-21-14(16-12)17-13(18)10-5-6-22(19,20)8-10/h1-4,7,10H,5-6,8H2,(H,16,17,18)/t10-/m0/s1.
What are the key properties of (3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide?
(3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 51534994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).