7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C9H12N2OS — CID 17122073

IUPAC7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2c(n1)SCC2
InChIInChI=1S/C9H12N2OS/c1-2-3-7-6-8(12)11-4-5-13-9(11)10-7/h6H,2-5H2,1H3
InChIKeyIEUXRHQVQJYLSL-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.30
Rot. Bonds2

About 7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 17122073) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID17122073
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2c(n1)SCC2
InChIInChI=1S/C9H12N2OS/c1-2-3-7-6-8(12)11-4-5-13-9(11)10-7/h6H,2-5H2,1H3
InChIKeyIEUXRHQVQJYLSL-UHFFFAOYSA-N
XLogP1.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135690273
3-ethyl-6-methyl-2-(methylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 3239816
2-Butylsulfanyl-3-ethyl-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 4144446
3-ethyl-6-methyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4319366
6-ethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)pyrimidin-4(3H)-one
CID 135561501
3-Ethyl-2-ethylsulfanyl-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 3241728
3,6-dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4530998
3-ethyl-6-methyl-2-(propylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 5095140
7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 641854
7-Methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 50848344
3,7-Dimethyl-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine
CID 86221258
5-Methyl-7-oxo-2,3,4,7-tetrahydrothiazolo[3,2-a]pyrimidine
CID 3371193

Frequently Asked Questions

What is the IUPAC name of 7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 17122073) is 7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCc1cc(=O)n2c(n1)SCC2.
What is the InChIKey of 7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IEUXRHQVQJYLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-2-3-7-6-8(12)11-4-5-13-9(11)10-7/h6H,2-5H2,1H3.
What are the key properties of 7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 196.27 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 17122073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).