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

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

N-ethyl-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-(2-methylprop-2-enyl)acetamide (PubChem CID 51196066) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-ethyl-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name	N-ethyl-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-(2-methylprop-2-enyl)acetamide
PubChem CID	51196066
Molecular Formula	C19H25N3O2S
Molecular Weight	359.50 g/mol
Exact Mass	359.17
IUPAC Name	N-ethyl-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-(2-methylprop-2-enyl)acetamide
SMILES	C=C(C)CN(CC)C(=O)Cn1cnc2sc3c(c2c1=O)CCC(C)C3
InChI	InChI=1S/C19H25N3O2S/c1-5-21(9-12(2)3)16(23)10-22-11-20-18-17(19(22)24)14-7-6-13(4)8-15(14)25-18/h11,13H,2,5-10H2,1,3-4H3
InChIKey	PJAIDAGIKZEOFW-UHFFFAOYSA-N
XLogP	3.01
TPSA	55.20 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.50
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

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

The IUPAC name of N-ethyl-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-(2-methylprop-2-enyl)acetamide (CID 51196066) is N-ethyl-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-(2-methylprop-2-enyl)acetamide.

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

The canonical SMILES for N-ethyl-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)Cn1cnc2sc3c(c2c1=O)CCC(C)C3.

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

The InChIKey is PJAIDAGIKZEOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-5-21(9-12(2)3)16(23)10-22-11-20-18-17(19(22)24)14-7-6-13(4)8-15(14)25-18/h11,13H,2,5-10H2,1,3-4H3.

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

N-ethyl-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 359.50 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 51196066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).