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

C10H6ClF3N2OS — CID 79764728

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1cnc(Cl)s1
InChIInChI=1S/C10H6ClF3N2OS/c11-9-15-3-7(18-9)5-16-4-6(10(12,13)14)1-2-8(16)17/h1-4H,5H2
InChIKeyIDXAUIWIQAMFSM-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.03
Rot. Bonds2

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

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 79764728) 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]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID79764728
Molecular FormulaC10H6ClF3N2OS
Molecular Weight294.69 g/mol
Exact Mass293.98
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1cnc(Cl)s1
InChIInChI=1S/C10H6ClF3N2OS/c11-9-15-3-7(18-9)5-16-4-6(10(12,13)14)1-2-8(16)17/h1-4H,5H2
InChIKeyIDXAUIWIQAMFSM-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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Related Compounds

5-Fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-one
CID 100678601
1-(1,3-thiazol-5-ylmethyl)-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72858183
1-[(2-Amino-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 79775220
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318682
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-5-fluoropyridin-2-one
CID 99831496
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]pyridin-2-one
CID 79764599
(E)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-N-(3-methylbutyl)pent-2-enamide
CID 169684378
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-oxopyridine-3-carbonitrile
CID 15767195
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-4-methylpyridin-2-one
CID 79764220
5-Bromo-1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyridin-2-one
CID 79764347
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-one
CID 79764354
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-6-methylpyridin-2-one
CID 79765635

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 79764728) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1Cc1cnc(Cl)s1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is IDXAUIWIQAMFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2OS/c11-9-15-3-7(18-9)5-16-4-6(10(12,13)14)1-2-8(16)17/h1-4H,5H2.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-(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]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 79764728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).