4-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

C15H13N3O2S — CID 16933422

IUPAC4-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCc1ccc(C(=O)Nc2c(C)nc3sccn3c2=O)cc1
InChIInChI=1S/C15H13N3O2S/c1-9-3-5-11(6-4-9)13(19)17-12-10(2)16-15-18(14(12)20)7-8-21-15/h3-8H,1-2H3,(H,17,19)
InChIKeyRKVIVBRFJHOMJU-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.63
Rot. Bonds2

About 4-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

4-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 16933422) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID16933422
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name4-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCc1ccc(C(=O)Nc2c(C)nc3sccn3c2=O)cc1
InChIInChI=1S/C15H13N3O2S/c1-9-3-5-11(6-4-9)13(19)17-12-10(2)16-15-18(14(12)20)7-8-21-15/h3-8H,1-2H3,(H,17,19)
InChIKeyRKVIVBRFJHOMJU-UHFFFAOYSA-N
XLogP2.63
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 4-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 16933422) is 4-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 4-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is Cc1ccc(C(=O)Nc2c(C)nc3sccn3c2=O)cc1.
What is the InChIKey of 4-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is RKVIVBRFJHOMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-3-5-11(6-4-9)13(19)17-12-10(2)16-15-18(14(12)20)7-8-21-15/h3-8H,1-2H3,(H,17,19).
What are the key properties of 4-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
4-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 299.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 16933422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).