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

C10H12N4O2S2 — CID 115337313

IUPAC[2-(1,1-dioxothiolan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(C2CCS(=O)(=O)C2)nc2sccc12
InChIInChI=1S/C10H12N4O2S2/c11-14-9-7-1-3-17-10(7)13-8(12-9)6-2-4-18(15,16)5-6/h1,3,6H,2,4-5,11H2,(H,12,13,14)
InChIKeyMOPUZZIBWVUKTM-UHFFFAOYSA-N
MW284.37 g/mol
LogP0.88
Rot. Bonds2

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

[2-(1,1-dioxothiolan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 115337313) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is [2-(1,1-dioxothiolan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1,1-dioxothiolan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID115337313
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name[2-(1,1-dioxothiolan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(C2CCS(=O)(=O)C2)nc2sccc12
InChIInChI=1S/C10H12N4O2S2/c11-14-9-7-1-3-17-10(7)13-8(12-9)6-2-4-18(15,16)5-6/h1,3,6H,2,4-5,11H2,(H,12,13,14)
InChIKeyMOPUZZIBWVUKTM-UHFFFAOYSA-N
XLogP0.88
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 50.88
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)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 115337316
[2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62252332
[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
2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321434
2-cyclopropyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62188847
2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65391653
2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 80611795
3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336168
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325263
2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 80610788
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione
CID 62245015
N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine
CID 62244736

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxothiolan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1,1-dioxothiolan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 115337313) is [2-(1,1-dioxothiolan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1,1-dioxothiolan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1,1-dioxothiolan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is NNc1nc(C2CCS(=O)(=O)C2)nc2sccc12.
What is the InChIKey of [2-(1,1-dioxothiolan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is MOPUZZIBWVUKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c11-14-9-7-1-3-17-10(7)13-8(12-9)6-2-4-18(15,16)5-6/h1,3,6H,2,4-5,11H2,(H,12,13,14).
What are the key properties of [2-(1,1-dioxothiolan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(1,1-dioxothiolan-3-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 284.37 g/mol, XLogP of 0.88, 2 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)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 115337313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).