N-cyclopropyl-2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C15H19N3OS2 — CID 3218956

IUPACN-cyclopropyl-2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCCc1nc(SCC(=O)NC2CC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C15H19N3OS2/c1-4-11-17-14(20-7-12(19)16-10-5-6-10)13-8(2)9(3)21-15(13)18-11/h10H,4-7H2,1-3H3,(H,16,19)
InChIKeyXMQYKKUPEHTHLQ-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.24
Rot. Bonds5

About N-cyclopropyl-2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-cyclopropyl-2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 3218956) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID3218956
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC NameN-cyclopropyl-2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCCc1nc(SCC(=O)NC2CC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C15H19N3OS2/c1-4-11-17-14(20-7-12(19)16-10-5-6-10)13-8(2)9(3)21-15(13)18-11/h10H,4-7H2,1-3H3,(H,16,19)
InChIKeyXMQYKKUPEHTHLQ-UHFFFAOYSA-N
XLogP3.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-(2-ethyl-5,6-dimethylthieno[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-cyclopropyl-2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 3218956) is N-cyclopropyl-2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is CCc1nc(SCC(=O)NC2CC2)c2c(C)c(C)sc2n1.
What is the InChIKey of N-cyclopropyl-2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is XMQYKKUPEHTHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-4-11-17-14(20-7-12(19)16-10-5-6-10)13-8(2)9(3)21-15(13)18-11/h10H,4-7H2,1-3H3,(H,16,19).
What are the key properties of N-cyclopropyl-2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-cyclopropyl-2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 321.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 3218956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).