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

C10H8F3N3OS — CID 79775220

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESNc1ncc(Cn2cc(C(F)(F)F)ccc2=O)s1
InChIInChI=1S/C10H8F3N3OS/c11-10(12,13)6-1-2-8(17)16(4-6)5-7-3-15-9(14)18-7/h1-4H,5H2,(H2,14,15)
InChIKeyQCZFGCCLWOTEOJ-UHFFFAOYSA-N
MW275.25 g/mol
LogP1.95
Rot. Bonds2

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

1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 79775220) has the molecular formula C10H8F3N3OS and a molecular weight of 275.25 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID79775220
Molecular FormulaC10H8F3N3OS
Molecular Weight275.25 g/mol
Exact Mass275.03
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESNc1ncc(Cn2cc(C(F)(F)F)ccc2=O)s1
InChIInChI=1S/C10H8F3N3OS/c11-10(12,13)6-1-2-8(17)16(4-6)5-7-3-15-9(14)18-7/h1-4H,5H2,(H2,14,15)
InChIKeyQCZFGCCLWOTEOJ-UHFFFAOYSA-N
XLogP1.95
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(3-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]-1,3-thiazole-5-carboxamide
CID 163997352
N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 25948124
1-[[2-(Propylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 79760514
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 79764728
1-[(2-Hydrazinyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 79765420
1-[[2-(Ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 79775313
1-[[2-(Propylamino)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81311021
1-[(2-Hydrazinyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318911
1-[[2-(Ethylamino)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319539
1-[(2-Amino-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319669
1-[4-[[5-(Trifluoromethyl)-1,3-thiazol-2-yl]amino]butyl]pyridin-2-one
CID 133522950
6-[(2-Amino-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943762

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 79775220) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is Nc1ncc(Cn2cc(C(F)(F)F)ccc2=O)s1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is QCZFGCCLWOTEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c11-10(12,13)6-1-2-8(17)16(4-6)5-7-3-15-9(14)18-7/h1-4H,5H2,(H2,14,15).
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 275.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 79775220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).