6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C9H12N2OS — CID 165160114

IUPAC6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C9H12N2OS/c1-6(2)7-5-10-9-11(8(7)12)3-4-13-9/h5-6H,3-4H2,1-2H3
InChIKeyCHARGQDNMVTYBQ-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.47
Rot. Bonds1

About 6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 165160114) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID165160114
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C9H12N2OS/c1-6(2)7-5-10-9-11(8(7)12)3-4-13-9/h5-6H,3-4H2,1-2H3
InChIKeyCHARGQDNMVTYBQ-UHFFFAOYSA-N
XLogP1.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 165160114) is 6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(C)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CHARGQDNMVTYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6(2)7-5-10-9-11(8(7)12)3-4-13-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 196.27 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 165160114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).