N-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C15H19N3OS2 — CID 6461027

IUPACN-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1cc2c(SCC(=O)NC3CCCCC3)ncnc2s1
InChIInChI=1S/C15H19N3OS2/c1-10-7-12-14(16-9-17-15(12)21-10)20-8-13(19)18-11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3,(H,18,19)
InChIKeySSWAEDSWAWTQEJ-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.54
Rot. Bonds4

About N-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 6461027) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID6461027
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC NameN-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1cc2c(SCC(=O)NC3CCCCC3)ncnc2s1
InChIInChI=1S/C15H19N3OS2/c1-10-7-12-14(16-9-17-15(12)21-10)20-8-13(19)18-11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3,(H,18,19)
InChIKeySSWAEDSWAWTQEJ-UHFFFAOYSA-N
XLogP3.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 6461027) is N-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1cc2c(SCC(=O)NC3CCCCC3)ncnc2s1.
What is the InChIKey of N-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is SSWAEDSWAWTQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-10-7-12-14(16-9-17-15(12)21-10)20-8-13(19)18-11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3,(H,18,19).
What are the key properties of N-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 321.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 6461027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).