5-(2-chloropyrimidin-4-yl)-2-cyclohexyl-4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-1,3-thiazole

C26H21ClF3N3O2S2 — CID 58345931

IUPAC5-(2-chloropyrimidin-4-yl)-2-cyclohexyl-4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-1,3-thiazole
SMILESO=S(=O)(Cc1cccc(-c2nc(C3CCCCC3)sc2-c2ccnc(Cl)n2)c1F)c1cc(F)ccc1F
InChIInChI=1S/C26H21ClF3N3O2S2/c27-26-31-12-11-20(32-26)24-23(33-25(36-24)15-5-2-1-3-6-15)18-8-4-7-16(22(18)30)14-37(34,35)21-13-17(28)9-10-19(21)29/h4,7-13,15H,1-3,5-6,14H2
InChIKeyWQHLQAYCXVHYQR-UHFFFAOYSA-N
MW564.05 g/mol
LogP7.36
Rot. Bonds6

About 5-(2-chloropyrimidin-4-yl)-2-cyclohexyl-4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-1,3-thiazole

5-(2-chloropyrimidin-4-yl)-2-cyclohexyl-4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-1,3-thiazole (PubChem CID 58345931) has the molecular formula C26H21ClF3N3O2S2 and a molecular weight of 564.05 g/mol. Its IUPAC name is 5-(2-chloropyrimidin-4-yl)-2-cyclohexyl-4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-(2-chloropyrimidin-4-yl)-2-cyclohexyl-4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-1,3-thiazole
PubChem CID58345931
Molecular FormulaC26H21ClF3N3O2S2
Molecular Weight564.05 g/mol
Exact Mass563.07
IUPAC Name5-(2-chloropyrimidin-4-yl)-2-cyclohexyl-4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-1,3-thiazole
SMILESO=S(=O)(Cc1cccc(-c2nc(C3CCCCC3)sc2-c2ccnc(Cl)n2)c1F)c1cc(F)ccc1F
InChIInChI=1S/C26H21ClF3N3O2S2/c27-26-31-12-11-20(32-26)24-23(33-25(36-24)15-5-2-1-3-6-15)18-8-4-7-16(22(18)30)14-37(34,35)21-13-17(28)9-10-19(21)29/h4,7-13,15H,1-3,5-6,14H2
InChIKeyWQHLQAYCXVHYQR-UHFFFAOYSA-N
XLogP7.36
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.05
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2-chloropyrimidin-4-yl)-2-cyclohexyl-4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloropyrimidin-4-yl)-2-cyclohexyl-4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-1,3-thiazole?
The IUPAC name of 5-(2-chloropyrimidin-4-yl)-2-cyclohexyl-4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-1,3-thiazole (CID 58345931) is 5-(2-chloropyrimidin-4-yl)-2-cyclohexyl-4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-1,3-thiazole.
What is the SMILES notation for 5-(2-chloropyrimidin-4-yl)-2-cyclohexyl-4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-1,3-thiazole?
The canonical SMILES for 5-(2-chloropyrimidin-4-yl)-2-cyclohexyl-4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-1,3-thiazole is O=S(=O)(Cc1cccc(-c2nc(C3CCCCC3)sc2-c2ccnc(Cl)n2)c1F)c1cc(F)ccc1F.
What is the InChIKey of 5-(2-chloropyrimidin-4-yl)-2-cyclohexyl-4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-1,3-thiazole?
The InChIKey is WQHLQAYCXVHYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3N3O2S2/c27-26-31-12-11-20(32-26)24-23(33-25(36-24)15-5-2-1-3-6-15)18-8-4-7-16(22(18)30)14-37(34,35)21-13-17(28)9-10-19(21)29/h4,7-13,15H,1-3,5-6,14H2.
What are the key properties of 5-(2-chloropyrimidin-4-yl)-2-cyclohexyl-4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-1,3-thiazole?
5-(2-chloropyrimidin-4-yl)-2-cyclohexyl-4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-1,3-thiazole has a molecular weight of 564.05 g/mol, XLogP of 7.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloropyrimidin-4-yl)-2-cyclohexyl-4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-1,3-thiazole is sourced from PubChem (CID 58345931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).