propan-2-yl (5R)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C26H34N4O3S — CID 98260988

About propan-2-yl (5R)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

propan-2-yl (5R)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 98260988) has the molecular formula C26H34N4O3S and a molecular weight of 482.65 g/mol. Its IUPAC name is propan-2-yl (5R)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl (5R)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 98260988
• Molecular Formula: C26H34N4O3S
• Molecular Weight: 482.65 g/mol
• Exact Mass: 482.24
• IUPAC Name: propan-2-yl (5R)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCN1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4cccc(C)c4)N23)CC1
• InChI: InChI=1S/C26H34N4O3S/c1-6-28-10-12-29(13-11-28)22(31)15-21-16-34-26-27-19(5)23(25(32)33-17(2)3)24(30(21)26)20-9-7-8-18(4)14-20/h7-9,14,16-17,24H,6,10-13,15H2,1-5H3/t24-/m1/s1
• InChIKey: DZKQDNMDZHUOCQ-XMMPIXPASA-N
• XLogP: 4.08
• TPSA: 65.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.65
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (5R)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of propan-2-yl (5R)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 98260988) is propan-2-yl (5R)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for propan-2-yl (5R)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for propan-2-yl (5R)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCN1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4cccc(C)c4)N23)CC1.

What is the InChIKey of propan-2-yl (5R)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is DZKQDNMDZHUOCQ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H34N4O3S/c1-6-28-10-12-29(13-11-28)22(31)15-21-16-34-26-27-19(5)23(25(32)33-17(2)3)24(30(21)26)20-9-7-8-18(4)14-20/h7-9,14,16-17,24H,6,10-13,15H2,1-5H3/t24-/m1/s1.

What are the key properties of propan-2-yl (5R)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

propan-2-yl (5R)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 482.65 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl (5R)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 98260988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).