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

C19H23N3O3S2 — CID 42831629

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

methyl 7-ethyl-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 42831629) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is methyl 7-ethyl-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: methyl 7-ethyl-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 42831629
• Molecular Formula: C19H23N3O3S2
• Molecular Weight: 405.55 g/mol
• Exact Mass: 405.12
• IUPAC Name: methyl 7-ethyl-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCC1=C(C(=O)OC)C(c2cccs2)N2C(CC(=O)N(C)CC)=CSC2=N1
• InChI: InChI=1S/C19H23N3O3S2/c1-5-13-16(18(24)25-4)17(14-8-7-9-26-14)22-12(11-27-19(22)20-13)10-15(23)21(3)6-2/h7-9,11,17H,5-6,10H2,1-4H3
• InChIKey: SMFYLUYAQYNPEL-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 62.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.55
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of methyl 7-ethyl-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 42831629) is methyl 7-ethyl-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

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

The canonical SMILES for methyl 7-ethyl-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCC1=C(C(=O)OC)C(c2cccs2)N2C(CC(=O)N(C)CC)=CSC2=N1.

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

The InChIKey is SMFYLUYAQYNPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c1-5-13-16(18(24)25-4)17(14-8-7-9-26-14)22-12(11-27-19(22)20-13)10-15(23)21(3)6-2/h7-9,11,17H,5-6,10H2,1-4H3.

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

methyl 7-ethyl-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 405.55 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 7-ethyl-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 42831629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).