2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide

C14H17N3O2S2 — CID 6460757

IUPAC2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc2c(SCC(=O)NCC3CCCO3)ncnc2s1
InChIInChI=1S/C14H17N3O2S2/c1-9-5-11-13(16-8-17-14(11)21-9)20-7-12(18)15-6-10-3-2-4-19-10/h5,8,10H,2-4,6-7H2,1H3,(H,15,18)
InChIKeyFYQRDLYQGCLUKH-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.39
Rot. Bonds5

About 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide

2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 6460757) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID6460757
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc2c(SCC(=O)NCC3CCCO3)ncnc2s1
InChIInChI=1S/C14H17N3O2S2/c1-9-5-11-13(16-8-17-14(11)21-9)20-7-12(18)15-6-10-3-2-4-19-10/h5,8,10H,2-4,6-7H2,1H3,(H,15,18)
InChIKeyFYQRDLYQGCLUKH-UHFFFAOYSA-N
XLogP2.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide 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 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (CID 6460757) is 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is Cc1cc2c(SCC(=O)NCC3CCCO3)ncnc2s1.
What is the InChIKey of 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is FYQRDLYQGCLUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-9-5-11-13(16-8-17-14(11)21-9)20-7-12(18)15-6-10-3-2-4-19-10/h5,8,10H,2-4,6-7H2,1H3,(H,15,18).
What are the key properties of 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 6460757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).