2-morpholin-4-ylethyl 6-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate

C23H25N3O4S — CID 57298049

IUPAC2-morpholin-4-ylethyl 6-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate
SMILESCc1ccc(C=Cc2nc3sc(C(=O)OCCN4CCOCC4)cn3c(=O)c2C)cc1
InChIInChI=1S/C23H25N3O4S/c1-16-3-5-18(6-4-16)7-8-19-17(2)21(27)26-15-20(31-23(26)24-19)22(28)30-14-11-25-9-12-29-13-10-25/h3-8,15H,9-14H2,1-2H3
InChIKeyHHDUDDWJDPPXBU-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.03
Rot. Bonds6

About 2-morpholin-4-ylethyl 6-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate

2-morpholin-4-ylethyl 6-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate (PubChem CID 57298049) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 6-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 6-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate
PubChem CID57298049
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name2-morpholin-4-ylethyl 6-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate
SMILESCc1ccc(C=Cc2nc3sc(C(=O)OCCN4CCOCC4)cn3c(=O)c2C)cc1
InChIInChI=1S/C23H25N3O4S/c1-16-3-5-18(6-4-16)7-8-19-17(2)21(27)26-15-20(31-23(26)24-19)22(28)30-14-11-25-9-12-29-13-10-25/h3-8,15H,9-14H2,1-2H3
InChIKeyHHDUDDWJDPPXBU-UHFFFAOYSA-N
XLogP3.03
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-morpholin-4-ylethyl 4-[3-(1,3-benzothiazol-2-yl)-3-oxoprop-1-enyl]benzoate
CID 74005298
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108907300
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400
2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate
CID 68605488
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate
CID 58740461
2-morpholin-4-ylethyl 5-[3-[(1R)-3-hydroxy-2-methyl-5-oxocyclopentyl]propyl]thiophene-2-carboxylate
CID 70953303
(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 170877328
ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
CID 89048082
ethyl 4-methyl-2-(4-methylphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate
CID 979840
1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 6-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 6-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate (CID 57298049) is 2-morpholin-4-ylethyl 6-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 6-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 6-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate is Cc1ccc(C=Cc2nc3sc(C(=O)OCCN4CCOCC4)cn3c(=O)c2C)cc1.
What is the InChIKey of 2-morpholin-4-ylethyl 6-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate?
The InChIKey is HHDUDDWJDPPXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-16-3-5-18(6-4-16)7-8-19-17(2)21(27)26-15-20(31-23(26)24-19)22(28)30-14-11-25-9-12-29-13-10-25/h3-8,15H,9-14H2,1-2H3.
What are the key properties of 2-morpholin-4-ylethyl 6-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate?
2-morpholin-4-ylethyl 6-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate has a molecular weight of 439.54 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 6-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 57298049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).