(2,4-dichlorophenyl)methyl N-(dimethylaminomethylidene)-N'-[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamimidothioate

C19H21Cl2N5S — CID 2800210

IUPAC(2,4-dichlorophenyl)methyl N-(dimethylaminomethylidene)-N'-[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamimidothioate
SMILESCC(=NN=C(N=CN(C)C)SCc1ccc(Cl)cc1Cl)c1ccc(C)nc1
InChIInChI=1S/C19H21Cl2N5S/c1-13-5-6-15(10-22-13)14(2)24-25-19(23-12-26(3)4)27-11-16-7-8-17(20)9-18(16)21/h5-10,12H,11H2,1-4H3
InChIKeyCHIBMZQCLVZJKL-UHFFFAOYSA-N
MW422.39 g/mol
LogP5.30
Rot. Bonds5

About (2,4-dichlorophenyl)methyl N-(dimethylaminomethylidene)-N'-[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamimidothioate

(2,4-dichlorophenyl)methyl N-(dimethylaminomethylidene)-N'-[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamimidothioate (PubChem CID 2800210) has the molecular formula C19H21Cl2N5S and a molecular weight of 422.39 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl N-(dimethylaminomethylidene)-N'-[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamimidothioate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl N-(dimethylaminomethylidene)-N'-[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamimidothioate
PubChem CID2800210
Molecular FormulaC19H21Cl2N5S
Molecular Weight422.39 g/mol
Exact Mass421.09
IUPAC Name(2,4-dichlorophenyl)methyl N-(dimethylaminomethylidene)-N'-[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamimidothioate
SMILESCC(=NN=C(N=CN(C)C)SCc1ccc(Cl)cc1Cl)c1ccc(C)nc1
InChIInChI=1S/C19H21Cl2N5S/c1-13-5-6-15(10-22-13)14(2)24-25-19(23-12-26(3)4)27-11-16-7-8-17(20)9-18(16)21/h5-10,12H,11H2,1-4H3
InChIKeyCHIBMZQCLVZJKL-UHFFFAOYSA-N
XLogP5.30
TPSA53.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.39
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2,4-dichlorophenyl)methyl N-(dimethylaminomethylidene)-N'-[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamimidothioate with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(2,4-Dichlorophenyl)vinyl]pyridine
CID 220147
N-[(4-chlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 768261
N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 779825
2-(2-chlorophenyl)-1-(3-pyridinylmethyl)-5,6,7,8-tetrahydro-4(1H)-quinazolinethione
CID 1232925
N-[(4-chlorophenyl)methyl]-5-(iodomethyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide
CID 127037371
cis-[3-(2,4-Dichloro-phenyl)-3-pyridin-3-yl-allyl]-dimethyl-amine;C2H4O4
CID 12930054
1,6-Naphthyridine, 5,6,7,8-tetrahydro-6-(3-(2,4-dichlorophenyl)-2-propenyl)-
CID 6447457
2-[6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-N-ethyl-N-methylethanamine
CID 44403284
5-(bromomethyl)-N-[(4-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide
CID 127037229
(Z)-3-methyl-4-phenyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-imine
CID 137631662
(Z)-4-(4-chlorophenyl)-3-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-imine
CID 137634074
(Z)-4-(3,4-dichlorophenyl)-3-phenyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-imine
CID 137639846

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl N-(dimethylaminomethylidene)-N'-[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamimidothioate?
The IUPAC name of (2,4-dichlorophenyl)methyl N-(dimethylaminomethylidene)-N'-[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamimidothioate (CID 2800210) is (2,4-dichlorophenyl)methyl N-(dimethylaminomethylidene)-N'-[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamimidothioate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl N-(dimethylaminomethylidene)-N'-[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamimidothioate?
The canonical SMILES for (2,4-dichlorophenyl)methyl N-(dimethylaminomethylidene)-N'-[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamimidothioate is CC(=NN=C(N=CN(C)C)SCc1ccc(Cl)cc1Cl)c1ccc(C)nc1.
What is the InChIKey of (2,4-dichlorophenyl)methyl N-(dimethylaminomethylidene)-N'-[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamimidothioate?
The InChIKey is CHIBMZQCLVZJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5S/c1-13-5-6-15(10-22-13)14(2)24-25-19(23-12-26(3)4)27-11-16-7-8-17(20)9-18(16)21/h5-10,12H,11H2,1-4H3.
What are the key properties of (2,4-dichlorophenyl)methyl N-(dimethylaminomethylidene)-N'-[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamimidothioate?
(2,4-dichlorophenyl)methyl N-(dimethylaminomethylidene)-N'-[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamimidothioate has a molecular weight of 422.39 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl N-(dimethylaminomethylidene)-N'-[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamimidothioate is sourced from PubChem (CID 2800210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).