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

C13H14F3N3OS — CID 79760514

IUPAC1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCCCNc1ncc(Cn2cc(C(F)(F)F)ccc2=O)s1
InChIInChI=1S/C13H14F3N3OS/c1-2-5-17-12-18-6-10(21-12)8-19-7-9(13(14,15)16)3-4-11(19)20/h3-4,6-7H,2,5,8H2,1H3,(H,17,18)
InChIKeyNZMVXDZGQUHTAB-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.19
Rot. Bonds5

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

1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 79760514) has the molecular formula C13H14F3N3OS and a molecular weight of 317.34 g/mol. Its IUPAC name is 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID79760514
Molecular FormulaC13H14F3N3OS
Molecular Weight317.34 g/mol
Exact Mass317.08
IUPAC Name1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCCCNc1ncc(Cn2cc(C(F)(F)F)ccc2=O)s1
InChIInChI=1S/C13H14F3N3OS/c1-2-5-17-12-18-6-10(21-12)8-19-7-9(13(14,15)16)3-4-11(19)20/h3-4,6-7H,2,5,8H2,1H3,(H,17,18)
InChIKeyNZMVXDZGQUHTAB-UHFFFAOYSA-N
XLogP3.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10913733, Example 3
CID 129251725
N-(5-ethyl-1,3-thiazol-2-yl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 136558359
2-amino-N-[(3-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]-1,3-thiazole-5-carboxamide
CID 163997352
2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 167587644
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 167627100
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 167673559
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 24555165
N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 25948124
N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 31939975
1-[(2-Hydrazinyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 79765420
1-[(2-Amino-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 79775220
1-[[2-(Ethylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 79775313

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one (CID 79760514) is 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one is CCCNc1ncc(Cn2cc(C(F)(F)F)ccc2=O)s1.
What is the InChIKey of 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is NZMVXDZGQUHTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3OS/c1-2-5-17-12-18-6-10(21-12)8-19-7-9(13(14,15)16)3-4-11(19)20/h3-4,6-7H,2,5,8H2,1H3,(H,17,18).
What are the key properties of 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 317.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 79760514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).