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

C13H18N4OS — CID 6469928

IUPAC7-[(4-ethylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C13H18N4OS/c1-2-15-3-5-16(6-4-15)10-11-9-12(18)17-7-8-19-13(17)14-11/h7-9H,2-6,10H2,1H3
InChIKeySNGYJUXCRUQVNF-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.89
Rot. Bonds3

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

7-[(4-ethylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 6469928) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 7-[(4-ethylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-ethylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID6469928
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name7-[(4-ethylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C13H18N4OS/c1-2-15-3-5-16(6-4-15)10-11-9-12(18)17-7-8-19-13(17)14-11/h7-9H,2-6,10H2,1H3
InChIKeySNGYJUXCRUQVNF-UHFFFAOYSA-N
XLogP0.89
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[(4-ethylpiperazin-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-Methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-one
CID 597065
7-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17376148
7-(Piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 24761831
7-[(2,6-Dimethyl-4-morpholinyl)methyl]-5-thiazolo[3,2-a]pyrimidinone
CID 2998063
N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
CID 9465877
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-(Morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2549305
7-(Piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2122913
7-[(4-methylpiperidin-1-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2655084
7-{[methyl(tetrahydro-2H-thiopyran-4-yl)amino]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91839100

Frequently Asked Questions

What is the IUPAC name of 7-[(4-ethylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-ethylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 6469928) is 7-[(4-ethylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-ethylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-ethylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCN1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 7-[(4-ethylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is SNGYJUXCRUQVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-2-15-3-5-16(6-4-15)10-11-9-12(18)17-7-8-19-13(17)14-11/h7-9H,2-6,10H2,1H3.
What are the key properties of 7-[(4-ethylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-ethylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 278.38 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-ethylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 6469928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).