2-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one

C17H15F3N4OS — CID 126950471

IUPAC2-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCN2c2nccs2)n1CC(F)(F)F
InChIInChI=1S/C17H15F3N4OS/c18-17(19,20)10-24-14(22-12-5-2-1-4-11(12)15(24)25)13-6-3-8-23(13)16-21-7-9-26-16/h1-2,4-5,7,9,13H,3,6,8,10H2
InChIKeyYORORAFJZYWLSG-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.76
Rot. Bonds3

About 2-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one

2-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one (PubChem CID 126950471) has the molecular formula C17H15F3N4OS and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
PubChem CID126950471
Molecular FormulaC17H15F3N4OS
Molecular Weight380.40 g/mol
Exact Mass380.09
IUPAC Name2-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCN2c2nccs2)n1CC(F)(F)F
InChIInChI=1S/C17H15F3N4OS/c18-17(19,20)10-24-14(22-12-5-2-1-4-11(12)15(24)25)13-6-3-8-23(13)16-21-7-9-26-16/h1-2,4-5,7,9,13H,3,6,8,10H2
InChIKeyYORORAFJZYWLSG-UHFFFAOYSA-N
XLogP3.76
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-pyrimidin-2-ylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950467
2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950650
2-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950468
2-(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950499
2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950671
2-[1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950505
2-[1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950547
2-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950557
3-(cyclopropylmethyl)-2-[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949849
2-[1-[(2-cyclopropylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950554
3-(2,2-difluoroethyl)-2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950199
2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one
CID 126951219

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one?
The IUPAC name of 2-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one (CID 126950471) is 2-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one.
What is the SMILES notation for 2-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one?
The canonical SMILES for 2-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one is O=c1c2ccccc2nc(C2CCCN2c2nccs2)n1CC(F)(F)F.
What is the InChIKey of 2-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one?
The InChIKey is YORORAFJZYWLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4OS/c18-17(19,20)10-24-14(22-12-5-2-1-4-11(12)15(24)25)13-6-3-8-23(13)16-21-7-9-26-16/h1-2,4-5,7,9,13H,3,6,8,10H2.
What are the key properties of 2-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one?
2-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one has a molecular weight of 380.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one is sourced from PubChem (CID 126950471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).