6-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide

C24H17ClFN3O2S2 — CID 91937323

IUPAC6-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C24H17ClFN3O2S2/c1-14-22(33-24(28-14)15-2-5-17(25)6-3-15)20(30)13-32-21-11-4-16(12-27-21)23(31)29-19-9-7-18(26)8-10-19/h2-12H,13H2,1H3,(H,29,31)
InChIKeyWKPKDHYLFKAKOT-UHFFFAOYSA-N
MW498.00 g/mol
LogP6.53
Rot. Bonds7

About 6-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide

6-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 91937323) has the molecular formula C24H17ClFN3O2S2 and a molecular weight of 498.00 g/mol. Its IUPAC name is 6-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID91937323
Molecular FormulaC24H17ClFN3O2S2
Molecular Weight498.00 g/mol
Exact Mass497.04
IUPAC Name6-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C24H17ClFN3O2S2/c1-14-22(33-24(28-14)15-2-5-17(25)6-3-15)20(30)13-32-21-11-4-16(12-27-21)23(31)29-19-9-7-18(26)8-10-19/h2-12H,13H2,1H3,(H,29,31)
InChIKeyWKPKDHYLFKAKOT-UHFFFAOYSA-N
XLogP6.53
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.00
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide (CID 91937323) is 6-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1.
What is the InChIKey of 6-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is WKPKDHYLFKAKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3O2S2/c1-14-22(33-24(28-14)15-2-5-17(25)6-3-15)20(30)13-32-21-11-4-16(12-27-21)23(31)29-19-9-7-18(26)8-10-19/h2-12H,13H2,1H3,(H,29,31).
What are the key properties of 6-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide?
6-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 498.00 g/mol, XLogP of 6.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 91937323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).