(2Z)-2-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

About (2Z)-2-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2Z)-2-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 6042686) has the molecular formula C36H31N3O5S and a molecular weight of 617.73 g/mol. Its IUPAC name is (2Z)-2-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name	(2Z)-2-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID	6042686
Molecular Formula	C36H31N3O5S
Molecular Weight	617.73 g/mol
Exact Mass	617.20
IUPAC Name	(2Z)-2-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILES	COc1ccccc1OCCOc1ccccc1/C=c1\sc2n(c1=O)C(c1ccccc1)C(C(=O)Nc1ccccc1)=C(C)N=2
InChI	InChI=1S/C36H31N3O5S/c1-24-32(34(40)38-27-16-7-4-8-17-27)33(25-13-5-3-6-14-25)39-35(41)31(45-36(39)37-24)23-26-15-9-10-18-28(26)43-21-22-44-30-20-12-11-19-29(30)42-2/h3-20,23,33H,21-22H2,1-2H3,(H,38,40)/b31-23-
InChIKey	FURYDJYXTHSTIX-SXBRIOAWSA-N
XLogP	5.34
TPSA	91.15 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	10
Heavy Atoms	45
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.73
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of (2Z)-2-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 6042686) is (2Z)-2-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (2Z)-2-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for (2Z)-2-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccccc1OCCOc1ccccc1/C=c1\sc2n(c1=O)C(c1ccccc1)C(C(=O)Nc1ccccc1)=C(C)N=2.

What is the InChIKey of (2Z)-2-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is FURYDJYXTHSTIX-SXBRIOAWSA-N. The full InChI is InChI=1S/C36H31N3O5S/c1-24-32(34(40)38-27-16-7-4-8-17-27)33(25-13-5-3-6-14-25)39-35(41)31(45-36(39)37-24)23-26-15-9-10-18-28(26)43-21-22-44-30-20-12-11-19-29(30)42-2/h3-20,23,33H,21-22H2,1-2H3,(H,38,40)/b31-23-.

What are the key properties of (2Z)-2-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

(2Z)-2-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 617.73 g/mol, XLogP of 5.34, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 6042686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).