N-(3-chlorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide

C19H20ClN5O3S — CID 46390954

About N-(3-chlorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide

N-(3-chlorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide (PubChem CID 46390954) has the molecular formula C19H20ClN5O3S and a molecular weight of 433.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
• PubChem CID: 46390954
• Molecular Formula: C19H20ClN5O3S
• Molecular Weight: 433.92 g/mol
• Exact Mass: 433.10
• IUPAC Name: N-(3-chlorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
• SMILES: CCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cccc(Cl)c2)c1=O
• InChI: InChI=1S/C19H20ClN5O3S/c1-2-24-17(27)15-16(22-18(29-15)23-8-3-4-9-23)25(19(24)28)11-14(26)21-13-7-5-6-12(20)10-13/h5-7,10H,2-4,8-9,11H2,1H3,(H,21,26)
• InChIKey: GXAFSNILBFWZSZ-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 89.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.92
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?

The IUPAC name of N-(3-chlorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide (CID 46390954) is N-(3-chlorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide.

What is the SMILES notation for N-(3-chlorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?

The canonical SMILES for N-(3-chlorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide is CCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cccc(Cl)c2)c1=O.

What is the InChIKey of N-(3-chlorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?

The InChIKey is GXAFSNILBFWZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3S/c1-2-24-17(27)15-16(22-18(29-15)23-8-3-4-9-23)25(19(24)28)11-14(26)21-13-7-5-6-12(20)10-13/h5-7,10H,2-4,8-9,11H2,1H3,(H,21,26).

What are the key properties of N-(3-chlorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?

N-(3-chlorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide has a molecular weight of 433.92 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 46390954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).