4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine

C20H13Cl2N3S — CID 135391679

IUPAC4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(N/N=C/c3ccc4ccccc4c3)n2)cc1Cl
InChIInChI=1S/C20H13Cl2N3S/c21-17-8-7-16(10-18(17)22)19-12-26-20(24-19)25-23-11-13-5-6-14-3-1-2-4-15(14)9-13/h1-12H,(H,24,25)/b23-11+
InChIKeyRIIHTJAGFINNDM-FOKLQQMPSA-N
MW398.32 g/mol
LogP6.72
Rot. Bonds4

About 4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine

4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine (PubChem CID 135391679) has the molecular formula C20H13Cl2N3S and a molecular weight of 398.32 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine
PubChem CID135391679
Molecular FormulaC20H13Cl2N3S
Molecular Weight398.32 g/mol
Exact Mass397.02
IUPAC Name4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(N/N=C/c3ccc4ccccc4c3)n2)cc1Cl
InChIInChI=1S/C20H13Cl2N3S/c21-17-8-7-16(10-18(17)22)19-12-26-20(24-19)25-23-11-13-5-6-14-3-1-2-4-15(14)9-13/h1-12H,(H,24,25)/b23-11+
InChIKeyRIIHTJAGFINNDM-FOKLQQMPSA-N
XLogP6.72
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.32
LogP ≤ 56.72
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

N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 42336469
4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 21240106
2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135685310
N-[(4-bromo-3-chlorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579281
N-[(3-chloro-4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577116
N-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578178
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110535518
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 110337726
N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577753
4-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 2311169
4-(4-chlorophenyl)-N-[(4-propan-2-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 5230372
4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135714039

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine (CID 135391679) is 4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine is Clc1ccc(-c2csc(N/N=C/c3ccc4ccccc4c3)n2)cc1Cl.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is RIIHTJAGFINNDM-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H13Cl2N3S/c21-17-8-7-16(10-18(17)22)19-12-26-20(24-19)25-23-11-13-5-6-14-3-1-2-4-15(14)9-13/h1-12H,(H,24,25)/b23-11+.
What are the key properties of 4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 398.32 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 135391679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).