1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide

C23H21FN4O3S2 — CID 167874862

IUPAC1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H21FN4O3S2/c24-18-5-9-20(10-6-18)33(30,31)28-11-1-2-17(14-28)22(29)25-19-7-3-16(4-8-19)21-15-27-12-13-32-23(27)26-21/h3-10,12-13,15,17H,1-2,11,14H2,(H,25,29)
InChIKeyRRVAOYWVHCAQFS-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.24
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide (PubChem CID 167874862) has the molecular formula C23H21FN4O3S2 and a molecular weight of 484.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide
PubChem CID167874862
Molecular FormulaC23H21FN4O3S2
Molecular Weight484.58 g/mol
Exact Mass484.10
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H21FN4O3S2/c24-18-5-9-20(10-6-18)33(30,31)28-11-1-2-17(14-28)22(29)25-19-7-3-16(4-8-19)21-15-27-12-13-32-23(27)26-21/h3-10,12-13,15,17H,1-2,11,14H2,(H,25,29)
InChIKeyRRVAOYWVHCAQFS-UHFFFAOYSA-N
XLogP4.24
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide
CID 41042075
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 34739366
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
(3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008719
(3R)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008721
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 41302452
1-(4-fluorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 133166796
1-(4-fluorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 16861454
(3R)-N-(4-carbamoylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9207175
N-(4-carbamoylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3938384
(3R)-N-(3,4-dichlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26687837
1-(4-fluorophenyl)sulfonyl-N-[4-(2-methylpropanoylamino)phenyl]piperidine-3-carboxamide
CID 55406646

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide (CID 167874862) is 1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide is O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide?
The InChIKey is RRVAOYWVHCAQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S2/c24-18-5-9-20(10-6-18)33(30,31)28-11-1-2-17(14-28)22(29)25-19-7-3-16(4-8-19)21-15-27-12-13-32-23(27)26-21/h3-10,12-13,15,17H,1-2,11,14H2,(H,25,29).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 167874862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).