N-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C17H16N4OS3 — CID 2509399

IUPACN-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)N(C)CCC#N)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C17H16N4OS3/c1-11-19-16-15(12(9-24-16)13-5-3-8-23-13)17(20-11)25-10-14(22)21(2)7-4-6-18/h3,5,8-9H,4,7,10H2,1-2H3
InChIKeyOEKRFCFVMVZJRF-UHFFFAOYSA-N
MW388.54 g/mol
LogP4.19
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 2509399) has the molecular formula C17H16N4OS3 and a molecular weight of 388.54 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID2509399
Molecular FormulaC17H16N4OS3
Molecular Weight388.54 g/mol
Exact Mass388.05
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)N(C)CCC#N)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C17H16N4OS3/c1-11-19-16-15(12(9-24-16)13-5-3-8-23-13)17(20-11)25-10-14(22)21(2)7-4-6-18/h3,5,8-9H,4,7,10H2,1-2H3
InChIKeyOEKRFCFVMVZJRF-UHFFFAOYSA-N
XLogP4.19
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[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-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 2509399) is N-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)N(C)CCC#N)c2c(-c3cccs3)csc2n1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is OEKRFCFVMVZJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS3/c1-11-19-16-15(12(9-24-16)13-5-3-8-23-13)17(20-11)25-10-14(22)21(2)7-4-6-18/h3,5,8-9H,4,7,10H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 388.54 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 2509399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).