2-quinolin-3-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

C16H12F3N3OS — CID 163254921

IUPAC2-quinolin-3-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C(=O)Nc1ncc(C(F)(F)F)s1)c1cnc2ccccc2c1
InChIInChI=1S/C16H12F3N3OS/c1-9(11-6-10-4-2-3-5-12(10)20-7-11)14(23)22-15-21-8-13(24-15)16(17,18)19/h2-9H,1H3,(H,21,22,23)
InChIKeyOSCVWXQZFRHESM-UHFFFAOYSA-N
MW351.35 g/mol
LogP4.45
Rot. Bonds3

About 2-quinolin-3-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

2-quinolin-3-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 163254921) has the molecular formula C16H12F3N3OS and a molecular weight of 351.35 g/mol. Its IUPAC name is 2-quinolin-3-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-quinolin-3-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID163254921
Molecular FormulaC16H12F3N3OS
Molecular Weight351.35 g/mol
Exact Mass351.07
IUPAC Name2-quinolin-3-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C(=O)Nc1ncc(C(F)(F)F)s1)c1cnc2ccccc2c1
InChIInChI=1S/C16H12F3N3OS/c1-9(11-6-10-4-2-3-5-12(10)20-7-11)14(23)22-15-21-8-13(24-15)16(17,18)19/h2-9H,1H3,(H,21,22,23)
InChIKeyOSCVWXQZFRHESM-UHFFFAOYSA-N
XLogP4.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-bromophenyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 156853166
2-[5-[5-[(2-isocyanoacetyl)amino]pyrazin-2-yl]-3-pyridinyl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 159464400
(2S)-2-[3-[2-(prop-2-enoylamino)-1H-pyridazin-5-yl]phenyl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 166731762
2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide
CID 103732344
N-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 89279295
N-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 53257806
fluoro(quinolin-3-yl)methanol
CID 163892772
2-quinolin-3-ylbutanamide
CID 154121490
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
5-bromo-2-propan-2-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-4-carboxamide
CID 166258519
(E)-4-[(3S)-3-fluoropyrrolidin-1-yl]-N-[5-[3-[(2S)-1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]phenyl]pyrazin-2-yl]but-2-enamide
CID 146449000
2,2-dimethyl-1-quinolin-3-ylpropan-1-ol
CID 60924299

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-3-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-quinolin-3-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 163254921) is 2-quinolin-3-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-quinolin-3-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-quinolin-3-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is CC(C(=O)Nc1ncc(C(F)(F)F)s1)c1cnc2ccccc2c1.
What is the InChIKey of 2-quinolin-3-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is OSCVWXQZFRHESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3OS/c1-9(11-6-10-4-2-3-5-12(10)20-7-11)14(23)22-15-21-8-13(24-15)16(17,18)19/h2-9H,1H3,(H,21,22,23).
What are the key properties of 2-quinolin-3-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
2-quinolin-3-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 351.35 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-3-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 163254921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).