2-[1-(4-fluorophenyl)ethyl-methylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C17H19FN4OS — CID 133350656

IUPAC2-[1-(4-fluorophenyl)ethyl-methylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2nc(N(C)C(C)c3ccc(F)cc3)sc2n1
InChIInChI=1S/C17H19FN4OS/c1-4-5-14-10-15(23)22-16(19-14)24-17(20-22)21(3)11(2)12-6-8-13(18)9-7-12/h6-11H,4-5H2,1-3H3
InChIKeyYEOIGBOKXQQFCF-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.44
Rot. Bonds5

About 2-[1-(4-fluorophenyl)ethyl-methylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[1-(4-fluorophenyl)ethyl-methylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133350656) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethyl-methylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethyl-methylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133350656
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC Name2-[1-(4-fluorophenyl)ethyl-methylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2nc(N(C)C(C)c3ccc(F)cc3)sc2n1
InChIInChI=1S/C17H19FN4OS/c1-4-5-14-10-15(23)22-16(19-14)24-17(20-22)21(3)11(2)12-6-8-13(18)9-7-12/h6-11H,4-5H2,1-3H3
InChIKeyYEOIGBOKXQQFCF-UHFFFAOYSA-N
XLogP3.44
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(4-fluorophenyl)ethyl-methylamino]-7-propyl-[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

2-[methyl(2-methylpropyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133276782
N-(3-fluorophenyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
CID 20893194
N-[(2-fluorophenyl)methyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
CID 20893252
N-(2,4-dimethylphenyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
CID 20893204
2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 133339043
2-[(4-chloro-3-fluorophenyl)methyl-methylamino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133431128
2-[[4-(dimethylamino)phenyl]methyl-ethylamino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133383896
2-(5,5-dimethylhexan-2-ylamino)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133311775
7-ethyl-2-[ethyl(2-methylbutyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133356910
2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133315722
2-(2-phenylbutylamino)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 87013187
(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-fluorobenzoate
CID 20946322

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethyl-methylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[1-(4-fluorophenyl)ethyl-methylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133350656) is 2-[1-(4-fluorophenyl)ethyl-methylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethyl-methylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethyl-methylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCCc1cc(=O)n2nc(N(C)C(C)c3ccc(F)cc3)sc2n1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethyl-methylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YEOIGBOKXQQFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4OS/c1-4-5-14-10-15(23)22-16(19-14)24-17(20-22)21(3)11(2)12-6-8-13(18)9-7-12/h6-11H,4-5H2,1-3H3.
What are the key properties of 2-[1-(4-fluorophenyl)ethyl-methylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[1-(4-fluorophenyl)ethyl-methylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 346.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethyl-methylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133350656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).