7-phenyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C12H12N2OS — CID 3067452

IUPAC7-phenyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C1CC(c2ccccc2)N=C2SCCN12
InChIInChI=1S/C12H12N2OS/c15-11-8-10(9-4-2-1-3-5-9)13-12-14(11)6-7-16-12/h1-5,10H,6-8H2
InChIKeyUXZDBCUMONUNIE-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.06
Rot. Bonds1

About 7-phenyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-phenyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3067452) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 7-phenyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-phenyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID3067452
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name7-phenyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C1CC(c2ccccc2)N=C2SCCN12
InChIInChI=1S/C12H12N2OS/c15-11-8-10(9-4-2-1-3-5-9)13-12-14(11)6-7-16-12/h1-5,10H,6-8H2
InChIKeyUXZDBCUMONUNIE-UHFFFAOYSA-N
XLogP2.06
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-phenyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 3067452) is 7-phenyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-phenyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-phenyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C1CC(c2ccccc2)N=C2SCCN12.
What is the InChIKey of 7-phenyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UXZDBCUMONUNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c15-11-8-10(9-4-2-1-3-5-9)13-12-14(11)6-7-16-12/h1-5,10H,6-8H2.
What are the key properties of 7-phenyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-phenyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 232.31 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3067452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).