3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one

C16H17N3OS — CID 166235559

IUPAC3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
SMILESCc1nsc2ncn(Cc3ccc(C(C)C)cc3)c(=O)c12
InChIInChI=1S/C16H17N3OS/c1-10(2)13-6-4-12(5-7-13)8-19-9-17-15-14(16(19)20)11(3)18-21-15/h4-7,9-10H,8H2,1-3H3
InChIKeyBMEDKBYUQZHQJQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.33
Rot. Bonds3

About 3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one

3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one (PubChem CID 166235559) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
PubChem CID166235559
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
SMILESCc1nsc2ncn(Cc3ccc(C(C)C)cc3)c(=O)c12
InChIInChI=1S/C16H17N3OS/c1-10(2)13-6-4-12(5-7-13)8-19-9-17-15-14(16(19)20)11(3)18-21-15/h4-7,9-10H,8H2,1-3H3
InChIKeyBMEDKBYUQZHQJQ-UHFFFAOYSA-N
XLogP3.33
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one (CID 166235559) is 3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one is Cc1nsc2ncn(Cc3ccc(C(C)C)cc3)c(=O)c12.
What is the InChIKey of 3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BMEDKBYUQZHQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10(2)13-6-4-12(5-7-13)8-19-9-17-15-14(16(19)20)11(3)18-21-15/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one has a molecular weight of 299.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166235559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).