7-methyl-6-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H20N2OS — CID 4904505

IUPAC7-methyl-6-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2n(c(=O)c1Cc1ccc(C(C)C)cc1)CCS2
InChIInChI=1S/C17H20N2OS/c1-11(2)14-6-4-13(5-7-14)10-15-12(3)18-17-19(16(15)20)8-9-21-17/h4-7,11H,8-10H2,1-3H3
InChIKeyBFAODOWGDKUEIL-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.37
Rot. Bonds3

About 7-methyl-6-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-methyl-6-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 4904505) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 7-methyl-6-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-6-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID4904505
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name7-methyl-6-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2n(c(=O)c1Cc1ccc(C(C)C)cc1)CCS2
InChIInChI=1S/C17H20N2OS/c1-11(2)14-6-4-13(5-7-14)10-15-12(3)18-17-19(16(15)20)8-9-21-17/h4-7,11H,8-10H2,1-3H3
InChIKeyBFAODOWGDKUEIL-UHFFFAOYSA-N
XLogP3.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-6-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 4904505) is 7-methyl-6-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-6-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-6-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2n(c(=O)c1Cc1ccc(C(C)C)cc1)CCS2.
What is the InChIKey of 7-methyl-6-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BFAODOWGDKUEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11(2)14-6-4-13(5-7-14)10-15-12(3)18-17-19(16(15)20)8-9-21-17/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 7-methyl-6-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-6-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 300.43 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 4904505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).