methyl 3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C24H31N3O3S — CID 42829153

IUPACmethyl 3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCN(CC)C(=O)CC1=CSC2=NC(C)=C(C(=O)OC)C(c3ccc(C(C)C)cc3)N12
InChIInChI=1S/C24H31N3O3S/c1-7-26(8-2)20(28)13-19-14-31-24-25-16(5)21(23(29)30-6)22(27(19)24)18-11-9-17(10-12-18)15(3)4/h9-12,14-15,22H,7-8,13H2,1-6H3
InChIKeyXDTHUUNFTDMPGE-UHFFFAOYSA-N
MW441.60 g/mol
LogP4.82
Rot. Bonds7

About methyl 3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl 3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 42829153) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is methyl 3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID42829153
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Namemethyl 3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCN(CC)C(=O)CC1=CSC2=NC(C)=C(C(=O)OC)C(c3ccc(C(C)C)cc3)N12
InChIInChI=1S/C24H31N3O3S/c1-7-26(8-2)20(28)13-19-14-31-24-25-16(5)21(23(29)30-6)22(27(19)24)18-11-9-17(10-12-18)15(3)4/h9-12,14-15,22H,7-8,13H2,1-6H3
InChIKeyXDTHUUNFTDMPGE-UHFFFAOYSA-N
XLogP4.82
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46112439
methyl (5S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98356033
(5R)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98357052
prop-2-enyl 5-(4-chlorophenyl)-3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42829029
methyl (5R)-7-methyl-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98205562
(5R)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-(4-methoxyphenyl)-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98389708
methyl (5R)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98204192
ethyl 3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42829293
ethyl (5S)-7-methyl-3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98358156
2-methoxyethyl 3-[2-(butan-2-ylamino)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42828778
propan-2-yl 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42832870
2-methoxyethyl 3-[2-(diethylamino)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42829920

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 42829153) is methyl 3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCN(CC)C(=O)CC1=CSC2=NC(C)=C(C(=O)OC)C(c3ccc(C(C)C)cc3)N12.
What is the InChIKey of methyl 3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is XDTHUUNFTDMPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-7-26(8-2)20(28)13-19-14-31-24-25-16(5)21(23(29)30-6)22(27(19)24)18-11-9-17(10-12-18)15(3)4/h9-12,14-15,22H,7-8,13H2,1-6H3.
What are the key properties of methyl 3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
methyl 3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 441.60 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 42829153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).