[2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine

C12H16N4S3 — CID 79965315

IUPAC[2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCc1cc2c(NN)nc(C3CSCCS3)nc2s1
InChIInChI=1S/C12H16N4S3/c1-2-7-5-8-10(16-13)14-11(15-12(8)19-7)9-6-17-3-4-18-9/h5,9H,2-4,6,13H2,1H3,(H,14,15,16)
InChIKeyPNUBZSLZNDQKBG-UHFFFAOYSA-N
MW312.49 g/mol
LogP3.06
Rot. Bonds3

About [2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine

[2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 79965315) has the molecular formula C12H16N4S3 and a molecular weight of 312.49 g/mol. Its IUPAC name is [2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID79965315
Molecular FormulaC12H16N4S3
Molecular Weight312.49 g/mol
Exact Mass312.05
IUPAC Name[2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCc1cc2c(NN)nc(C3CSCCS3)nc2s1
InChIInChI=1S/C12H16N4S3/c1-2-7-5-8-10(16-13)14-11(15-12(8)19-7)9-6-17-3-4-18-9/h5,9H,2-4,6,13H2,1H3,(H,14,15,16)
InChIKeyPNUBZSLZNDQKBG-UHFFFAOYSA-N
XLogP3.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine 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-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 79965315) is [2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine is CCc1cc2c(NN)nc(C3CSCCS3)nc2s1.
What is the InChIKey of [2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is PNUBZSLZNDQKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S3/c1-2-7-5-8-10(16-13)14-11(15-12(8)19-7)9-6-17-3-4-18-9/h5,9H,2-4,6,13H2,1H3,(H,14,15,16).
What are the key properties of [2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 312.49 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 79965315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).