3-chloro-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

C16H16ClF3N2OS — CID 55733591

IUPAC3-chloro-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(Cl)cc(C(F)(F)F)cn1Cc1csc(C2CCCCC2)n1
InChIInChI=1S/C16H16ClF3N2OS/c17-13-6-11(16(18,19)20)7-22(15(13)23)8-12-9-24-14(21-12)10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2
InChIKeyHULHNPBMYMEXIM-UHFFFAOYSA-N
MW376.83 g/mol
LogP5.07
Rot. Bonds3

About 3-chloro-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

3-chloro-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 55733591) has the molecular formula C16H16ClF3N2OS and a molecular weight of 376.83 g/mol. Its IUPAC name is 3-chloro-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID55733591
Molecular FormulaC16H16ClF3N2OS
Molecular Weight376.83 g/mol
Exact Mass376.06
IUPAC Name3-chloro-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(Cl)cc(C(F)(F)F)cn1Cc1csc(C2CCCCC2)n1
InChIInChI=1S/C16H16ClF3N2OS/c17-13-6-11(16(18,19)20)7-22(15(13)23)8-12-9-24-14(21-12)10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2
InChIKeyHULHNPBMYMEXIM-UHFFFAOYSA-N
XLogP5.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.83
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-chloro-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 55733591) is 3-chloro-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-chloro-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is O=c1c(Cl)cc(C(F)(F)F)cn1Cc1csc(C2CCCCC2)n1.
What is the InChIKey of 3-chloro-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is HULHNPBMYMEXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2OS/c17-13-6-11(16(18,19)20)7-22(15(13)23)8-12-9-24-14(21-12)10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2.
What are the key properties of 3-chloro-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
3-chloro-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 376.83 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 55733591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).