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

C12H16N4O2S2 — CID 115337316

IUPAC[2-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCc1cc2c(NN)nc(C3CCS(=O)(=O)C3)nc2s1
InChIInChI=1S/C12H16N4O2S2/c1-2-8-5-9-11(16-13)14-10(15-12(9)19-8)7-3-4-20(17,18)6-7/h5,7H,2-4,6,13H2,1H3,(H,14,15,16)
InChIKeyQEKPXKPQAXICPC-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.44
Rot. Bonds3

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

[2-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 115337316) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is [2-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID115337316
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name[2-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCc1cc2c(NN)nc(C3CCS(=O)(=O)C3)nc2s1
InChIInChI=1S/C12H16N4O2S2/c1-2-8-5-9-11(16-13)14-10(15-12(9)19-8)7-3-4-20(17,18)6-7/h5,7H,2-4,6,13H2,1H3,(H,14,15,16)
InChIKeyQEKPXKPQAXICPC-UHFFFAOYSA-N
XLogP1.44
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.44
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'}

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Related Compounds

[2-(1,1-dioxothiolan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 115337313
[6-ethyl-2-(oxolan-2-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 65328778
[2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 79965315
2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320494
2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63614822
[10-(1,1-dioxothiolan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine
CID 115337314
4-N-(1,1-dioxothiolan-3-yl)-6-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325260
2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 55250109
6-ethyl-2-(oxolan-3-yl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 65329062
6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65412798
[6-ethyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63615328
[2-(3-ethylcyclopentyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 65406007

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 115337316) is [2-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine is CCc1cc2c(NN)nc(C3CCS(=O)(=O)C3)nc2s1.
What is the InChIKey of [2-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is QEKPXKPQAXICPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-2-8-5-9-11(16-13)14-10(15-12(9)19-8)7-3-4-20(17,18)6-7/h5,7H,2-4,6,13H2,1H3,(H,14,15,16).
What are the key properties of [2-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 312.42 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 115337316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).