1-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one

C10H6ClF3N2OS — CID 81318682

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1Cc1cnc(Cl)s1
InChIInChI=1S/C10H6ClF3N2OS/c11-9-15-4-6(18-9)5-16-7(10(12,13)14)2-1-3-8(16)17/h1-4H,5H2
InChIKeyIEVGVBNVJUFIRQ-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.03
Rot. Bonds2

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81318682) has the molecular formula C10H6ClF3N2OS and a molecular weight of 294.69 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81318682
Molecular FormulaC10H6ClF3N2OS
Molecular Weight294.69 g/mol
Exact Mass293.98
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1Cc1cnc(Cl)s1
InChIInChI=1S/C10H6ClF3N2OS/c11-9-15-4-6(18-9)5-16-7(10(12,13)14)2-1-3-8(16)17/h1-4H,5H2
InChIKeyIEVGVBNVJUFIRQ-UHFFFAOYSA-N
XLogP3.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one (CID 81318682) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one is O=c1cccc(C(F)(F)F)n1Cc1cnc(Cl)s1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is IEVGVBNVJUFIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2OS/c11-9-15-4-6(18-9)5-16-7(10(12,13)14)2-1-3-8(16)17/h1-4H,5H2.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 294.69 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81318682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).