N-(4-methoxyphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

C17H17N3O3S2 — CID 20961907

IUPACN-(4-methoxyphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSCc2cc(=O)n3c(C)csc3n2)cc1
InChIInChI=1S/C17H17N3O3S2/c1-11-8-25-17-19-13(7-16(22)20(11)17)9-24-10-15(21)18-12-3-5-14(23-2)6-4-12/h3-8H,9-10H2,1-2H3,(H,18,21)
InChIKeyWENMHYQVIJRXLB-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.94
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (PubChem CID 20961907) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
PubChem CID20961907
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-(4-methoxyphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSCc2cc(=O)n3c(C)csc3n2)cc1
InChIInChI=1S/C17H17N3O3S2/c1-11-8-25-17-19-13(7-16(22)20(11)17)9-24-10-15(21)18-12-3-5-14(23-2)6-4-12/h3-8H,9-10H2,1-2H3,(H,18,21)
InChIKeyWENMHYQVIJRXLB-UHFFFAOYSA-N
XLogP2.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-methoxyphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (CID 20961907) is N-(4-methoxyphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is COc1ccc(NC(=O)CSCc2cc(=O)n3c(C)csc3n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The InChIKey is WENMHYQVIJRXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-11-8-25-17-19-13(7-16(22)20(11)17)9-24-10-15(21)18-12-3-5-14(23-2)6-4-12/h3-8H,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-(4-methoxyphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
N-(4-methoxyphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide has a molecular weight of 375.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 20961907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).