(2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide

C20H16F3N3O2S — CID 146871892

IUPAC(2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(CC(=O)c2cscn2)nc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3N3O2S/c1-12(13-3-2-4-14(7-13)20(21,22)23)19(28)26-16-6-5-15(24-9-16)8-18(27)17-10-29-11-25-17/h2-7,9-12H,8H2,1H3,(H,26,28)/t12-/m0/s1
InChIKeySOEZTMUJHDVMNQ-LBPRGKRZSA-N
MW419.43 g/mol
LogP4.72
Rot. Bonds6

About (2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide

(2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 146871892) has the molecular formula C20H16F3N3O2S and a molecular weight of 419.43 g/mol. Its IUPAC name is (2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID146871892
Molecular FormulaC20H16F3N3O2S
Molecular Weight419.43 g/mol
Exact Mass419.09
IUPAC Name(2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(CC(=O)c2cscn2)nc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3N3O2S/c1-12(13-3-2-4-14(7-13)20(21,22)23)19(28)26-16-6-5-15(24-9-16)8-18(27)17-10-29-11-25-17/h2-7,9-12H,8H2,1H3,(H,26,28)/t12-/m0/s1
InChIKeySOEZTMUJHDVMNQ-LBPRGKRZSA-N
XLogP4.72
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide
CID 147992779
N-[5-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 141025170
N-[4-methyl-6-[2-[3-(trifluoromethyl)phenyl]propanoylamino]-1,3-benzothiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 90144348
tert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate
CID 159121902
2-methyl-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-1,3-benzothiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 162217777
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 111108640
N-[6-[2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-1H-imidazol-5-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 90149497
N-[6-[[5-hydroxy-2-[3-(trifluoromethyl)phenyl]pentanoyl]amino]-1,3-benzothiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 74222776
N-[2-[2-[3-(trifluoromethyl)phenyl]pentanoylamino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide
CID 90144222
N-[5-[1-[3,5-bis(trifluoromethyl)phenyl]ethylcarbamothioylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 6915709
1-[5-[5-[1-(1,3-thiazol-4-yl)ethenylamino]-2-pyridinyl]-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 90149405
6-hydroxy-1-[4-[4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]phenyl]-3H-pyrrol-2-yl]-3-[3-(trifluoromethyl)phenyl]hexan-2-one
CID 148844388

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide (CID 146871892) is (2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide is C[C@H](C(=O)Nc1ccc(CC(=O)c2cscn2)nc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SOEZTMUJHDVMNQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H16F3N3O2S/c1-12(13-3-2-4-14(7-13)20(21,22)23)19(28)26-16-6-5-15(24-9-16)8-18(27)17-10-29-11-25-17/h2-7,9-12H,8H2,1H3,(H,26,28)/t12-/m0/s1.
What are the key properties of (2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
(2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 419.43 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 146871892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).