2-[2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide

C19H28N6O5S2 — CID 24589901

About 2-[2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide

2-[2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide (PubChem CID 24589901) has the molecular formula C19H28N6O5S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-[2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
• PubChem CID: 24589901
• Molecular Formula: C19H28N6O5S2
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.16
• IUPAC Name: 2-[2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
• SMILES: CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc(C)c(CC(N)=O)s2)c(=O)[nH]c1=O
• InChI: InChI=1S/C19H28N6O5S2/c1-4-5-6-25-16(21)15(17(28)23-18(25)29)24(7-8-30-3)14(27)10-31-19-22-11(2)12(32-19)9-13(20)26/h4-10,21H2,1-3H3,(H2,20,26)(H,23,28,29)
• InChIKey: PSWLTQYBTDVBRR-UHFFFAOYSA-N
• XLogP: 0.48
• TPSA: 166.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	0.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?

The IUPAC name of 2-[2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide (CID 24589901) is 2-[2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide.

What is the SMILES notation for 2-[2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?

The canonical SMILES for 2-[2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide is CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc(C)c(CC(N)=O)s2)c(=O)[nH]c1=O.

What is the InChIKey of 2-[2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?

The InChIKey is PSWLTQYBTDVBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O5S2/c1-4-5-6-25-16(21)15(17(28)23-18(25)29)24(7-8-30-3)14(27)10-31-19-22-11(2)12(32-19)9-13(20)26/h4-10,21H2,1-3H3,(H2,20,26)(H,23,28,29).

What are the key properties of 2-[2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?

2-[2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 484.60 g/mol, XLogP of 0.48, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 24589901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).