N-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C19H18N4OS3 — CID 4881176

IUPACN-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC(C)(C#N)C2CC2)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C19H18N4OS3/c1-11-21-17-16(13(8-26-17)14-4-3-7-25-14)18(22-11)27-9-15(24)23-19(2,10-20)12-5-6-12/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,23,24)
InChIKeyUVKKGIUTVYQHLH-UHFFFAOYSA-N
MW414.58 g/mol
LogP4.63
Rot. Bonds6

About N-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 4881176) has the molecular formula C19H18N4OS3 and a molecular weight of 414.58 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID4881176
Molecular FormulaC19H18N4OS3
Molecular Weight414.58 g/mol
Exact Mass414.06
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC(C)(C#N)C2CC2)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C19H18N4OS3/c1-11-21-17-16(13(8-26-17)14-4-3-7-25-14)18(22-11)27-9-15(24)23-19(2,10-20)12-5-6-12/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,23,24)
InChIKeyUVKKGIUTVYQHLH-UHFFFAOYSA-N
XLogP4.63
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-cyano-1-cyclopropylethyl)-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

Related Compounds

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7888379
N-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2509399
2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2496422
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 7246650
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 7889421
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 8024703
N-(4-cyanophenyl)-2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772987
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 43301359
N-(1-cyanocyclopentyl)-2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 17408268
N-(1-cyano-1-cyclopropylethyl)-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 78559086
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051298
N-(1-cyano-1-cyclopropylethyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4828728

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 4881176) is N-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)NC(C)(C#N)C2CC2)c2c(-c3cccs3)csc2n1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is UVKKGIUTVYQHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS3/c1-11-21-17-16(13(8-26-17)14-4-3-7-25-14)18(22-11)27-9-15(24)23-19(2,10-20)12-5-6-12/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,23,24).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 414.58 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 4881176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).