7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C12H16N4OS — CID 43556828

IUPAC7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESNC1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C12H16N4OS/c13-9-1-3-15(4-2-9)8-10-7-11(17)16-5-6-18-12(16)14-10/h5-7,9H,1-4,8,13H2
InChIKeyFCJWVFNQGOAQPP-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.68
Rot. Bonds2

About 7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 43556828) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID43556828
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESNC1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C12H16N4OS/c13-9-1-3-15(4-2-9)8-10-7-11(17)16-5-6-18-12(16)14-10/h5-7,9H,1-4,8,13H2
InChIKeyFCJWVFNQGOAQPP-UHFFFAOYSA-N
XLogP0.68
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[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

7-(Piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 24761831
7-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22197645
7-{[cyclohexyl(methyl)amino]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4238274
7-(piperazin-1-ylmethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7131503
7-(Piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2122913
1-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
CID 2419350
7-[(4-methylpiperidin-1-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2655084
7-[[3-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 167781422
7-[[3-Aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 167882868
7-[[(2S,3S)-3-(aminomethyl)-2-(trifluoromethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 167927003
7-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17479076
7-[(4-Ethylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47057384

Frequently Asked Questions

What is the IUPAC name of 7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 43556828) is 7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is NC1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FCJWVFNQGOAQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c13-9-1-3-15(4-2-9)8-10-7-11(17)16-5-6-18-12(16)14-10/h5-7,9H,1-4,8,13H2.
What are the key properties of 7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 264.35 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 43556828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).