[6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

C15H16N4S2 — CID 106849598

IUPAC[6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCc1cc2c(NN)nc(-c3ccc(SC)cc3)nc2s1
InChIInChI=1S/C15H16N4S2/c1-3-10-8-12-14(19-16)17-13(18-15(12)21-10)9-4-6-11(20-2)7-5-9/h4-8H,3,16H2,1-2H3,(H,17,18,19)
InChIKeyGLADYNUSFRYDNB-UHFFFAOYSA-N
MW316.46 g/mol
LogP3.93
Rot. Bonds4

About [6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

[6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 106849598) has the molecular formula C15H16N4S2 and a molecular weight of 316.46 g/mol. Its IUPAC name is [6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID106849598
Molecular FormulaC15H16N4S2
Molecular Weight316.46 g/mol
Exact Mass316.08
IUPAC Name[6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCc1cc2c(NN)nc(-c3ccc(SC)cc3)nc2s1
InChIInChI=1S/C15H16N4S2/c1-3-10-8-12-14(19-16)17-13(18-15(12)21-10)9-4-6-11(20-2)7-5-9/h4-8H,3,16H2,1-2H3,(H,17,18,19)
InChIKeyGLADYNUSFRYDNB-UHFFFAOYSA-N
XLogP3.93
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 106849598) is [6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is CCc1cc2c(NN)nc(-c3ccc(SC)cc3)nc2s1.
What is the InChIKey of [6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is GLADYNUSFRYDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S2/c1-3-10-8-12-14(19-16)17-13(18-15(12)21-10)9-4-6-11(20-2)7-5-9/h4-8H,3,16H2,1-2H3,(H,17,18,19).
What are the key properties of [6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 316.46 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106849598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).