7-amino-6-[(4-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H12ClN3OS — CID 10447136

IUPAC7-amino-6-[(4-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESNc1nc2n(c(=O)c1Cc1ccc(Cl)cc1)CCS2
InChIInChI=1S/C13H12ClN3OS/c14-9-3-1-8(2-4-9)7-10-11(15)16-13-17(12(10)18)5-6-19-13/h1-4H,5-7,15H2
InChIKeyHTBRDNARIRAOSK-UHFFFAOYSA-N
MW293.78 g/mol
LogP2.18
Rot. Bonds2

About 7-amino-6-[(4-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-amino-6-[(4-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 10447136) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is 7-amino-6-[(4-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-amino-6-[(4-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID10447136
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC Name7-amino-6-[(4-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESNc1nc2n(c(=O)c1Cc1ccc(Cl)cc1)CCS2
InChIInChI=1S/C13H12ClN3OS/c14-9-3-1-8(2-4-9)7-10-11(15)16-13-17(12(10)18)5-6-19-13/h1-4H,5-7,15H2
InChIKeyHTBRDNARIRAOSK-UHFFFAOYSA-N
XLogP2.18
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-amino-6-[(4-chlorophenyl)methyl]-2,3-dihydro-[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

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[(4-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-amino-6-[(4-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 10447136) is 7-amino-6-[(4-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-amino-6-[(4-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-amino-6-[(4-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Nc1nc2n(c(=O)c1Cc1ccc(Cl)cc1)CCS2.
What is the InChIKey of 7-amino-6-[(4-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HTBRDNARIRAOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3OS/c14-9-3-1-8(2-4-9)7-10-11(15)16-13-17(12(10)18)5-6-19-13/h1-4H,5-7,15H2.
What are the key properties of 7-amino-6-[(4-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-amino-6-[(4-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 293.78 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[(4-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 10447136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).