methyl 7-methyl-5-(3-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C24H30N4O4S — CID 42827926

IUPACmethyl 7-methyl-5-(3-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2C1c1cccc(C)c1
InChIInChI=1S/C24H30N4O4S/c1-16-5-4-6-18(13-16)22-21(23(30)31-3)17(2)26-24-28(22)19(15-33-24)14-20(29)25-7-8-27-9-11-32-12-10-27/h4-6,13,15,22H,7-12,14H2,1-3H3,(H,25,29)
InChIKeyJKYUHYIUXFDBHF-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.58
Rot. Bonds7

About methyl 7-methyl-5-(3-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl 7-methyl-5-(3-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 42827926) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is methyl 7-methyl-5-(3-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-5-(3-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID42827926
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Namemethyl 7-methyl-5-(3-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2C1c1cccc(C)c1
InChIInChI=1S/C24H30N4O4S/c1-16-5-4-6-18(13-16)22-21(23(30)31-3)17(2)26-24-28(22)19(15-33-24)14-20(29)25-7-8-27-9-11-32-12-10-27/h4-6,13,15,22H,7-12,14H2,1-3H3,(H,25,29)
InChIKeyJKYUHYIUXFDBHF-UHFFFAOYSA-N
XLogP2.58
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 7-methyl-5-(3-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

tert-butyl 7-methyl-5-(3-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42830722
methyl (5S)-5-(2,4-dimethylphenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98361163
propan-2-yl 5-(3-methoxyphenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42832887
propan-2-yl (5R)-7-methyl-5-(3-methylphenyl)-3-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98261001
benzyl 5-(3-chlorophenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42830018
ethyl (5R)-5-(3-methoxyphenyl)-7-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98325928
5-(3-chlorophenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42832920
methyl 7-methyl-5-(3-methylphenyl)-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42827938
benzyl 7-methyl-5-(4-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42829984
methyl 3-[2-(benzylamino)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42827930
methyl (5S)-7-ethyl-5-(3-fluorophenyl)-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98361395
2-methoxyethyl 7-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46111956

Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-5-(3-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 7-methyl-5-(3-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 42827926) is methyl 7-methyl-5-(3-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 7-methyl-5-(3-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 7-methyl-5-(3-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2C1c1cccc(C)c1.
What is the InChIKey of methyl 7-methyl-5-(3-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is JKYUHYIUXFDBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-16-5-4-6-18(13-16)22-21(23(30)31-3)17(2)26-24-28(22)19(15-33-24)14-20(29)25-7-8-27-9-11-32-12-10-27/h4-6,13,15,22H,7-12,14H2,1-3H3,(H,25,29).
What are the key properties of methyl 7-methyl-5-(3-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
methyl 7-methyl-5-(3-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 470.60 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-5-(3-methylphenyl)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 42827926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).