propan-2-yl 5-(3,5-dimethoxyphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C24H31N3O5S — CID 42831709

About propan-2-yl 5-(3,5-dimethoxyphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

propan-2-yl 5-(3,5-dimethoxyphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 42831709) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is propan-2-yl 5-(3,5-dimethoxyphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 5-(3,5-dimethoxyphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 42831709
• Molecular Formula: C24H31N3O5S
• Molecular Weight: 473.60 g/mol
• Exact Mass: 473.20
• IUPAC Name: propan-2-yl 5-(3,5-dimethoxyphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCN(C)C(=O)CC1=CSC2=NC(C)=C(C(=O)OC(C)C)C(c3cc(OC)cc(OC)c3)N12
• InChI: InChI=1S/C24H31N3O5S/c1-8-26(5)20(28)11-17-13-33-24-25-15(4)21(23(29)32-14(2)3)22(27(17)24)16-9-18(30-6)12-19(10-16)31-7/h9-10,12-14,22H,8,11H2,1-7H3
• InChIKey: FATLHZWFCXOKFJ-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 80.67 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.60
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-(3,5-dimethoxyphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of propan-2-yl 5-(3,5-dimethoxyphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 42831709) is propan-2-yl 5-(3,5-dimethoxyphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for propan-2-yl 5-(3,5-dimethoxyphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for propan-2-yl 5-(3,5-dimethoxyphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCN(C)C(=O)CC1=CSC2=NC(C)=C(C(=O)OC(C)C)C(c3cc(OC)cc(OC)c3)N12.

What is the InChIKey of propan-2-yl 5-(3,5-dimethoxyphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is FATLHZWFCXOKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-8-26(5)20(28)11-17-13-33-24-25-15(4)21(23(29)32-14(2)3)22(27(17)24)16-9-18(30-6)12-19(10-16)31-7/h9-10,12-14,22H,8,11H2,1-7H3.

What are the key properties of propan-2-yl 5-(3,5-dimethoxyphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

propan-2-yl 5-(3,5-dimethoxyphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 473.60 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 5-(3,5-dimethoxyphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 42831709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).