2-(dimethylamino)ethyl 6-methyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate

C21H23N3O3S — CID 57202518

IUPAC2-(dimethylamino)ethyl 6-methyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate
SMILESCc1cccc(C=Cc2nc3sc(C(=O)OCCN(C)C)cn3c(=O)c2C)c1
InChIInChI=1S/C21H23N3O3S/c1-14-6-5-7-16(12-14)8-9-17-15(2)19(25)24-13-18(28-21(24)22-17)20(26)27-11-10-23(3)4/h5-9,12-13H,10-11H2,1-4H3
InChIKeyBLSSPZWYWJYPBS-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.26
Rot. Bonds6

About 2-(dimethylamino)ethyl 6-methyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate

2-(dimethylamino)ethyl 6-methyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate (PubChem CID 57202518) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 6-methyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 6-methyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate
PubChem CID57202518
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2-(dimethylamino)ethyl 6-methyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate
SMILESCc1cccc(C=Cc2nc3sc(C(=O)OCCN(C)C)cn3c(=O)c2C)c1
InChIInChI=1S/C21H23N3O3S/c1-14-6-5-7-16(12-14)8-9-17-15(2)19(25)24-13-18(28-21(24)22-17)20(26)27-11-10-23(3)4/h5-9,12-13H,10-11H2,1-4H3
InChIKeyBLSSPZWYWJYPBS-UHFFFAOYSA-N
XLogP3.26
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(dimethylamino)ethyl 6-methyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate with MolForge

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Related Compounds

2-morpholin-4-ylethyl 6-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate
CID 57298049
3,6-dimethyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
CID 54088831
7-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
CID 15590886
6-chloro-7-[2-(3,4-dimethoxyphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
CID 54461568
2-(dimethylamino)ethyl 2-(3-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 17296258
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
2-(dimethylamino)ethyl thiophene-2-carboxylate;hydrochloride
CID 52998113
2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate
CID 44722441
2-ethoxyethyl (E)-3-(3-methylphenyl)prop-2-enoate
CID 78832150
N-[2-(dimethylamino)ethyl]-N-methylacetamide;N-methyl-1-(3-methylphenyl)methanimine
CID 142030133
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
bis[3-(dimethylamino)propyl] benzene-1,3-dicarboxylate
CID 139953071

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 6-methyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 6-methyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate (CID 57202518) is 2-(dimethylamino)ethyl 6-methyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 6-methyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 6-methyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate is Cc1cccc(C=Cc2nc3sc(C(=O)OCCN(C)C)cn3c(=O)c2C)c1.
What is the InChIKey of 2-(dimethylamino)ethyl 6-methyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate?
The InChIKey is BLSSPZWYWJYPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-14-6-5-7-16(12-14)8-9-17-15(2)19(25)24-13-18(28-21(24)22-17)20(26)27-11-10-23(3)4/h5-9,12-13H,10-11H2,1-4H3.
What are the key properties of 2-(dimethylamino)ethyl 6-methyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate?
2-(dimethylamino)ethyl 6-methyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate has a molecular weight of 397.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 6-methyl-7-[2-(3-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 57202518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).