4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine

C18H16Cl2N4S — CID 21240106

IUPAC4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCN(C)c1ccc(/C=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1
InChIInChI=1S/C18H16Cl2N4S/c1-24(2)14-6-3-12(4-7-14)10-21-23-18-22-17(11-25-18)13-5-8-15(19)16(20)9-13/h3-11H,1-2H3,(H,22,23)/b21-10+
InChIKeyIVCDUHFWORNTHD-UFFVCSGVSA-N
MW391.33 g/mol
LogP5.63
Rot. Bonds5

About 4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine

4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 21240106) has the molecular formula C18H16Cl2N4S and a molecular weight of 391.33 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID21240106
Molecular FormulaC18H16Cl2N4S
Molecular Weight391.33 g/mol
Exact Mass390.05
IUPAC Name4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCN(C)c1ccc(/C=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1
InChIInChI=1S/C18H16Cl2N4S/c1-24(2)14-6-3-12(4-7-14)10-21-23-18-22-17(11-25-18)13-5-8-15(19)16(20)9-13/h3-11H,1-2H3,(H,22,23)/b21-10+
InChIKeyIVCDUHFWORNTHD-UFFVCSGVSA-N
XLogP5.63
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.33
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
4-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide
CID 172885903
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 5230090
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 3136073
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 42336469
4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 135391679
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 5230092
4-(4-chlorophenyl)-N-[(4-propan-2-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 5230372
N-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 6229470
2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135685310
4-(3,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-amine
CID 169490570
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110535518

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 21240106) is 4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine is CN(C)c1ccc(/C=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is IVCDUHFWORNTHD-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H16Cl2N4S/c1-24(2)14-6-3-12(4-7-14)10-21-23-18-22-17(11-25-18)13-5-8-15(19)16(20)9-13/h3-11H,1-2H3,(H,22,23)/b21-10+.
What are the key properties of 4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 391.33 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 21240106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).