4-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)thiophen-2-amine

C16H11Cl2N3S — CID 4536144

IUPAC4-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)thiophen-2-amine
SMILESClc1ccc(-c2sc(NN=Cc3ccccn3)cc2Cl)cc1
InChIInChI=1S/C16H11Cl2N3S/c17-12-6-4-11(5-7-12)16-14(18)9-15(22-16)21-20-10-13-3-1-2-8-19-13/h1-10,21H
InChIKeyMNKCOJFEOKNTSI-UHFFFAOYSA-N
MW348.26 g/mol
LogP5.56
Rot. Bonds4

About 4-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)thiophen-2-amine

4-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)thiophen-2-amine (PubChem CID 4536144) has the molecular formula C16H11Cl2N3S and a molecular weight of 348.26 g/mol. Its IUPAC name is 4-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)thiophen-2-amine.

Molecular Properties

Compound Name4-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)thiophen-2-amine
PubChem CID4536144
Molecular FormulaC16H11Cl2N3S
Molecular Weight348.26 g/mol
Exact Mass347.01
IUPAC Name4-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)thiophen-2-amine
SMILESClc1ccc(-c2sc(NN=Cc3ccccn3)cc2Cl)cc1
InChIInChI=1S/C16H11Cl2N3S/c17-12-6-4-11(5-7-12)16-14(18)9-15(22-16)21-20-10-13-3-1-2-8-19-13/h1-10,21H
InChIKeyMNKCOJFEOKNTSI-UHFFFAOYSA-N
XLogP5.56
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.26
LogP ≤ 55.56
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'}

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Related Compounds

4-chloro-N-(pyridin-2-ylmethylideneamino)aniline
CID 78605778
4-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-amine
CID 3793731
4-N,6-N-bis[(E)-pyridin-2-ylmethylideneamino]pyrimidine-2,4,6-triamine
CID 118918788
2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline
CID 6015562
2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide
CID 1012448
2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide
CID 639603
4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 17132316
2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135892476
2-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide;dihydrate
CID 139147248
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 171980649
3-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethylideneamino)propanamide
CID 958832
N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine
CID 24792239

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)thiophen-2-amine?
The IUPAC name of 4-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)thiophen-2-amine (CID 4536144) is 4-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)thiophen-2-amine.
What is the SMILES notation for 4-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)thiophen-2-amine?
The canonical SMILES for 4-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)thiophen-2-amine is Clc1ccc(-c2sc(NN=Cc3ccccn3)cc2Cl)cc1.
What is the InChIKey of 4-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)thiophen-2-amine?
The InChIKey is MNKCOJFEOKNTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3S/c17-12-6-4-11(5-7-12)16-14(18)9-15(22-16)21-20-10-13-3-1-2-8-19-13/h1-10,21H.
What are the key properties of 4-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)thiophen-2-amine?
4-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)thiophen-2-amine has a molecular weight of 348.26 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)thiophen-2-amine is sourced from PubChem (CID 4536144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).