2-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C18H17F3N4OS — CID 133274349

IUPAC2-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2sc(NCC3(c4cccc(C(F)(F)F)c4)CCCC3)nn12
InChIInChI=1S/C18H17F3N4OS/c19-18(20,21)13-5-3-4-12(10-13)17(7-1-2-8-17)11-23-15-24-25-14(26)6-9-22-16(25)27-15/h3-6,9-10H,1-2,7-8,11H2,(H,23,24)
InChIKeyXULYUCRVJRSFFC-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.09
Rot. Bonds4

About 2-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133274349) has the molecular formula C18H17F3N4OS and a molecular weight of 394.42 g/mol. Its IUPAC name is 2-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133274349
Molecular FormulaC18H17F3N4OS
Molecular Weight394.42 g/mol
Exact Mass394.11
IUPAC Name2-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2sc(NCC3(c4cccc(C(F)(F)F)c4)CCCC3)nn12
InChIInChI=1S/C18H17F3N4OS/c19-18(20,21)13-5-3-4-12(10-13)17(7-1-2-8-17)11-23-15-24-25-14(26)6-9-22-16(25)27-15/h3-6,9-10H,1-2,7-8,11H2,(H,23,24)
InChIKeyXULYUCRVJRSFFC-UHFFFAOYSA-N
XLogP4.09
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 47983075
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 119805107
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119805118
2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]acetamide;hydrochloride
CID 119335841
1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 86876143
4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide
CID 120561385
1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea
CID 47955967
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
CID 119335838
N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide
CID 71998503
(3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide
CID 96998721
2-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]acetamide
CID 119805131
2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid
CID 66748836

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133274349) is 2-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=c1ccnc2sc(NCC3(c4cccc(C(F)(F)F)c4)CCCC3)nn12.
What is the InChIKey of 2-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XULYUCRVJRSFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4OS/c19-18(20,21)13-5-3-4-12(10-13)17(7-1-2-8-17)11-23-15-24-25-14(26)6-9-22-16(25)27-15/h3-6,9-10H,1-2,7-8,11H2,(H,23,24).
What are the key properties of 2-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 394.42 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133274349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).