4-methoxy-N-(5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)benzamide

C20H16N4O2S — CID 155556134

IUPAC4-methoxy-N-(5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(C)nc3sc(-c4ccccc4)nc23)cc1
InChIInChI=1S/C20H16N4O2S/c1-12-21-17(24-18(25)13-8-10-15(26-2)11-9-13)16-20(22-12)27-19(23-16)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,22,24,25)
InChIKeyJVYMQQUYPRGHMF-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.32
Rot. Bonds4

About 4-methoxy-N-(5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)benzamide

4-methoxy-N-(5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)benzamide (PubChem CID 155556134) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-methoxy-N-(5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)benzamide
PubChem CID155556134
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name4-methoxy-N-(5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(C)nc3sc(-c4ccccc4)nc23)cc1
InChIInChI=1S/C20H16N4O2S/c1-12-21-17(24-18(25)13-8-10-15(26-2)11-9-13)16-20(22-12)27-19(23-16)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,22,24,25)
InChIKeyJVYMQQUYPRGHMF-UHFFFAOYSA-N
XLogP4.32
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)benzamide?
The IUPAC name of 4-methoxy-N-(5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)benzamide (CID 155556134) is 4-methoxy-N-(5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)benzamide is COc1ccc(C(=O)Nc2nc(C)nc3sc(-c4ccccc4)nc23)cc1.
What is the InChIKey of 4-methoxy-N-(5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)benzamide?
The InChIKey is JVYMQQUYPRGHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-12-21-17(24-18(25)13-8-10-15(26-2)11-9-13)16-20(22-12)27-19(23-16)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,22,24,25).
What are the key properties of 4-methoxy-N-(5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)benzamide?
4-methoxy-N-(5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)benzamide has a molecular weight of 376.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)benzamide is sourced from PubChem (CID 155556134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).