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

C13H19N5S2 — CID 112750748

IUPAC[4-(4-methylsulfanylazepan-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine
SMILESCSC1CCCN(c2nc(NN)nc3ccsc23)CC1
InChIInChI=1S/C13H19N5S2/c1-19-9-3-2-6-18(7-4-9)12-11-10(5-8-20-11)15-13(16-12)17-14/h5,8-9H,2-4,6-7,14H2,1H3,(H,15,16,17)
InChIKeyMYELIECKXOORBA-UHFFFAOYSA-N
MW309.46 g/mol
LogP2.70
Rot. Bonds3

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

[4-(4-methylsulfanylazepan-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine (PubChem CID 112750748) has the molecular formula C13H19N5S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is [4-(4-methylsulfanylazepan-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-methylsulfanylazepan-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine
PubChem CID112750748
Molecular FormulaC13H19N5S2
Molecular Weight309.46 g/mol
Exact Mass309.11
IUPAC Name[4-(4-methylsulfanylazepan-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine
SMILESCSC1CCCN(c2nc(NN)nc3ccsc23)CC1
InChIInChI=1S/C13H19N5S2/c1-19-9-3-2-6-18(7-4-9)12-11-10(5-8-20-11)15-13(16-12)17-14/h5,8-9H,2-4,6-7,14H2,1H3,(H,15,16,17)
InChIKeyMYELIECKXOORBA-UHFFFAOYSA-N
XLogP2.70
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylsulfanylazepan-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(4-methylsulfanylazepan-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine (CID 112750748) is [4-(4-methylsulfanylazepan-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-methylsulfanylazepan-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(4-methylsulfanylazepan-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine is CSC1CCCN(c2nc(NN)nc3ccsc23)CC1.
What is the InChIKey of [4-(4-methylsulfanylazepan-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine?
The InChIKey is MYELIECKXOORBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S2/c1-19-9-3-2-6-18(7-4-9)12-11-10(5-8-20-11)15-13(16-12)17-14/h5,8-9H,2-4,6-7,14H2,1H3,(H,15,16,17).
What are the key properties of [4-(4-methylsulfanylazepan-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine?
[4-(4-methylsulfanylazepan-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine has a molecular weight of 309.46 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylsulfanylazepan-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 112750748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).