6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C16H14FN3O4S2 — CID 56701180

IUPAC6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1csc2nc(-c3ccccc3F)cn12
InChIInChI=1S/C16H14FN3O4S2/c17-10-4-2-1-3-9(10)11-5-20-13(6-25-16(20)19-11)15(22)18-12-7-26(23,24)8-14(12)21/h1-6,12,14,21H,7-8H2,(H,18,22)/t12-,14-/m1/s1
InChIKeyXJTDGLNIQHZIIZ-TZMCWYRMSA-N
MW395.44 g/mol
LogP1.09
Rot. Bonds3

About 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 56701180) has the molecular formula C16H14FN3O4S2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID56701180
Molecular FormulaC16H14FN3O4S2
Molecular Weight395.44 g/mol
Exact Mass395.04
IUPAC Name6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1csc2nc(-c3ccccc3F)cn12
InChIInChI=1S/C16H14FN3O4S2/c17-10-4-2-1-3-9(10)11-5-20-13(6-25-16(20)19-11)15(22)18-12-7-26(23,24)8-14(12)21/h1-6,12,14,21H,7-8H2,(H,18,22)/t12-,14-/m1/s1
InChIKeyXJTDGLNIQHZIIZ-TZMCWYRMSA-N
XLogP1.09
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 56701180) is 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1csc2nc(-c3ccccc3F)cn12.
What is the InChIKey of 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is XJTDGLNIQHZIIZ-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H14FN3O4S2/c17-10-4-2-1-3-9(10)11-5-20-13(6-25-16(20)19-11)15(22)18-12-7-26(23,24)8-14(12)21/h1-6,12,14,21H,7-8H2,(H,18,22)/t12-,14-/m1/s1.
What are the key properties of 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 56701180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).