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

C9H12N2OS — CID 142649002

IUPAC2-ethyl-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC1Cn2c(nc(C)cc2=O)S1
InChIInChI=1S/C9H12N2OS/c1-3-7-5-11-8(12)4-6(2)10-9(11)13-7/h4,7H,3,5H2,1-2H3
InChIKeyBYXQNAWQFGHXDQ-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.44
Rot. Bonds1

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

2-ethyl-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 142649002) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-ethyl-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-ethyl-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID142649002
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name2-ethyl-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC1Cn2c(nc(C)cc2=O)S1
InChIInChI=1S/C9H12N2OS/c1-3-7-5-11-8(12)4-6(2)10-9(11)13-7/h4,7H,3,5H2,1-2H3
InChIKeyBYXQNAWQFGHXDQ-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-ethyl-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 142649002) is 2-ethyl-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-ethyl-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-ethyl-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCC1Cn2c(nc(C)cc2=O)S1.
What is the InChIKey of 2-ethyl-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BYXQNAWQFGHXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-3-7-5-11-8(12)4-6(2)10-9(11)13-7/h4,7H,3,5H2,1-2H3.
What are the key properties of 2-ethyl-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2-ethyl-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 196.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 142649002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).