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

C12H18N2OS — CID 17122092

IUPAC7-methyl-6-(3-methylbutyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2n(c(=O)c1CCC(C)C)CCS2
InChIInChI=1S/C12H18N2OS/c1-8(2)4-5-10-9(3)13-12-14(11(10)15)6-7-16-12/h8H,4-7H2,1-3H3
InChIKeyIKYYHYPALPMHTO-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.25
Rot. Bonds3

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

7-methyl-6-(3-methylbutyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 17122092) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 7-methyl-6-(3-methylbutyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-6-(3-methylbutyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID17122092
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name7-methyl-6-(3-methylbutyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2n(c(=O)c1CCC(C)C)CCS2
InChIInChI=1S/C12H18N2OS/c1-8(2)4-5-10-9(3)13-12-14(11(10)15)6-7-16-12/h8H,4-7H2,1-3H3
InChIKeyIKYYHYPALPMHTO-UHFFFAOYSA-N
XLogP2.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(3-methylbutyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-6-(3-methylbutyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 17122092) is 7-methyl-6-(3-methylbutyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-6-(3-methylbutyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-6-(3-methylbutyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2n(c(=O)c1CCC(C)C)CCS2.
What is the InChIKey of 7-methyl-6-(3-methylbutyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IKYYHYPALPMHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8(2)4-5-10-9(3)13-12-14(11(10)15)6-7-16-12/h8H,4-7H2,1-3H3.
What are the key properties of 7-methyl-6-(3-methylbutyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-6-(3-methylbutyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 238.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(3-methylbutyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 17122092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).