N-ethyl-2-[ethyl-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide

C17H24N4OS — CID 9337729

About N-ethyl-2-[ethyl-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide

N-ethyl-2-[ethyl-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide (PubChem CID 9337729) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide.

Molecular Properties

• Compound Name: N-ethyl-2-[ethyl-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide
• PubChem CID: 9337729
• Molecular Formula: C17H24N4OS
• Molecular Weight: 332.47 g/mol
• Exact Mass: 332.17
• IUPAC Name: N-ethyl-2-[ethyl-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide
• SMILES: CCNC(=O)CN(CC)c1ncnc2sc3c(c12)CC[C@@H](C)C3
• InChI: InChI=1S/C17H24N4OS/c1-4-18-14(22)9-21(5-2)16-15-12-7-6-11(3)8-13(12)23-17(15)20-10-19-16/h10-11H,4-9H2,1-3H3,(H,18,22)/t11-/m1/s1
• InChIKey: IECRODVFNICTPB-LLVKDONJSA-N
• XLogP: 2.78
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.47
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide?

The IUPAC name of N-ethyl-2-[ethyl-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide (CID 9337729) is N-ethyl-2-[ethyl-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide.

What is the SMILES notation for N-ethyl-2-[ethyl-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide?

The canonical SMILES for N-ethyl-2-[ethyl-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide is CCNC(=O)CN(CC)c1ncnc2sc3c(c12)CC[C@@H](C)C3.

What is the InChIKey of N-ethyl-2-[ethyl-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide?

The InChIKey is IECRODVFNICTPB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-4-18-14(22)9-21(5-2)16-15-12-7-6-11(3)8-13(12)23-17(15)20-10-19-16/h10-11H,4-9H2,1-3H3,(H,18,22)/t11-/m1/s1.

What are the key properties of N-ethyl-2-[ethyl-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide?

N-ethyl-2-[ethyl-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide has a molecular weight of 332.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-[ethyl-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 9337729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).