3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine

C12H11Cl2N3S — CID 9150352

IUPAC3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine
SMILESC/C(=N/Nc1ncc(Cl)cc1Cl)c1ccc(C)s1
InChIInChI=1S/C12H11Cl2N3S/c1-7-3-4-11(18-7)8(2)16-17-12-10(14)5-9(13)6-15-12/h3-6H,1-2H3,(H,15,17)/b16-8-
InChIKeyCFGDVENAFOIZRZ-PXNMLYILSA-N
MW300.21 g/mol
LogP4.59
Rot. Bonds3

About 3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine

3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine (PubChem CID 9150352) has the molecular formula C12H11Cl2N3S and a molecular weight of 300.21 g/mol. Its IUPAC name is 3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine
PubChem CID9150352
Molecular FormulaC12H11Cl2N3S
Molecular Weight300.21 g/mol
Exact Mass299.01
IUPAC Name3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine
SMILESC/C(=N/Nc1ncc(Cl)cc1Cl)c1ccc(C)s1
InChIInChI=1S/C12H11Cl2N3S/c1-7-3-4-11(18-7)8(2)16-17-12-10(14)5-9(13)6-15-12/h3-6H,1-2H3,(H,15,17)/b16-8-
InChIKeyCFGDVENAFOIZRZ-PXNMLYILSA-N
XLogP4.59
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine (CID 9150352) is 3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine is C/C(=N/Nc1ncc(Cl)cc1Cl)c1ccc(C)s1.
What is the InChIKey of 3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine?
The InChIKey is CFGDVENAFOIZRZ-PXNMLYILSA-N. The full InChI is InChI=1S/C12H11Cl2N3S/c1-7-3-4-11(18-7)8(2)16-17-12-10(14)5-9(13)6-15-12/h3-6H,1-2H3,(H,15,17)/b16-8-.
What are the key properties of 3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine?
3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine has a molecular weight of 300.21 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-2-amine is sourced from PubChem (CID 9150352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).