2-cyclopropyl-7-[[(4-fluorophenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C19H21FN4OS — CID 50803329

IUPAC2-cyclopropyl-7-[[(4-fluorophenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCN(Cc1ccc(F)cc1)Cc1cc(=O)n2nc(C3CC3)sc2n1
InChIInChI=1S/C19H21FN4OS/c1-2-9-23(11-13-3-7-15(20)8-4-13)12-16-10-17(25)24-19(21-16)26-18(22-24)14-5-6-14/h3-4,7-8,10,14H,2,5-6,9,11-12H2,1H3
InChIKeyBVVVVPUIWXMKKQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.58
Rot. Bonds7

About 2-cyclopropyl-7-[[(4-fluorophenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-cyclopropyl-7-[[(4-fluorophenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 50803329) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-cyclopropyl-7-[[(4-fluorophenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-cyclopropyl-7-[[(4-fluorophenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID50803329
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC Name2-cyclopropyl-7-[[(4-fluorophenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCN(Cc1ccc(F)cc1)Cc1cc(=O)n2nc(C3CC3)sc2n1
InChIInChI=1S/C19H21FN4OS/c1-2-9-23(11-13-3-7-15(20)8-4-13)12-16-10-17(25)24-19(21-16)26-18(22-24)14-5-6-14/h3-4,7-8,10,14H,2,5-6,9,11-12H2,1H3
InChIKeyBVVVVPUIWXMKKQ-UHFFFAOYSA-N
XLogP3.58
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-[[(4-fluorophenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-cyclopropyl-7-[[(4-fluorophenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 50803329) is 2-cyclopropyl-7-[[(4-fluorophenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-cyclopropyl-7-[[(4-fluorophenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-cyclopropyl-7-[[(4-fluorophenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCCN(Cc1ccc(F)cc1)Cc1cc(=O)n2nc(C3CC3)sc2n1.
What is the InChIKey of 2-cyclopropyl-7-[[(4-fluorophenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BVVVVPUIWXMKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-2-9-23(11-13-3-7-15(20)8-4-13)12-16-10-17(25)24-19(21-16)26-18(22-24)14-5-6-14/h3-4,7-8,10,14H,2,5-6,9,11-12H2,1H3.
What are the key properties of 2-cyclopropyl-7-[[(4-fluorophenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-cyclopropyl-7-[[(4-fluorophenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 372.47 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-[[(4-fluorophenyl)methyl-propylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 50803329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).