3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine

C13H14Cl2N4S — CID 102761994

IUPAC3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine
SMILESNNc1nc(NC2CCCc3sccc32)c(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N4S/c14-8-6-9(15)13(19-16)18-12(8)17-10-2-1-3-11-7(10)4-5-20-11/h4-6,10H,1-3,16H2,(H2,17,18,19)
InChIKeyPRRBZYGTJOFBQM-UHFFFAOYSA-N
MW329.26 g/mol
LogP4.22
Rot. Bonds3

About 3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine

3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine (PubChem CID 102761994) has the molecular formula C13H14Cl2N4S and a molecular weight of 329.26 g/mol. Its IUPAC name is 3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine
PubChem CID102761994
Molecular FormulaC13H14Cl2N4S
Molecular Weight329.26 g/mol
Exact Mass328.03
IUPAC Name3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine
SMILESNNc1nc(NC2CCCc3sccc32)c(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N4S/c14-8-6-9(15)13(19-16)18-12(8)17-10-2-1-3-11-7(10)4-5-20-11/h4-6,10H,1-3,16H2,(H2,17,18,19)
InChIKeyPRRBZYGTJOFBQM-UHFFFAOYSA-N
XLogP4.22
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine (CID 102761994) is 3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine is NNc1nc(NC2CCCc3sccc32)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine?
The InChIKey is PRRBZYGTJOFBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4S/c14-8-6-9(15)13(19-16)18-12(8)17-10-2-1-3-11-7(10)4-5-20-11/h4-6,10H,1-3,16H2,(H2,17,18,19).
What are the key properties of 3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine?
3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine has a molecular weight of 329.26 g/mol, XLogP of 4.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine is sourced from PubChem (CID 102761994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).