4-(2,4-dichlorophenyl)-N-[(Z)-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-1,3-thiazol-2-amine

C20H17Cl2N3OS — CID 56680596

IUPAC4-(2,4-dichlorophenyl)-N-[(Z)-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-1,3-thiazol-2-amine
SMILESCOc1cccc2c1CCC/C2=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C20H17Cl2N3OS/c1-26-19-7-3-4-13-14(19)5-2-6-17(13)24-25-20-23-18(11-27-20)15-9-8-12(21)10-16(15)22/h3-4,7-11H,2,5-6H2,1H3,(H,23,25)/b24-17-
InChIKeyMYGFIZAEAAWGIW-ULJHMMPZSA-N
MW418.35 g/mol
LogP6.28
Rot. Bonds4

About 4-(2,4-dichlorophenyl)-N-[(Z)-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-1,3-thiazol-2-amine

4-(2,4-dichlorophenyl)-N-[(Z)-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-1,3-thiazol-2-amine (PubChem CID 56680596) has the molecular formula C20H17Cl2N3OS and a molecular weight of 418.35 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-[(Z)-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-[(Z)-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-1,3-thiazol-2-amine
PubChem CID56680596
Molecular FormulaC20H17Cl2N3OS
Molecular Weight418.35 g/mol
Exact Mass417.05
IUPAC Name4-(2,4-dichlorophenyl)-N-[(Z)-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-1,3-thiazol-2-amine
SMILESCOc1cccc2c1CCC/C2=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C20H17Cl2N3OS/c1-26-19-7-3-4-13-14(19)5-2-6-17(13)24-25-20-23-18(11-27-20)15-9-8-12(21)10-16(15)22/h3-4,7-11H,2,5-6H2,1H3,(H,23,25)/b24-17-
InChIKeyMYGFIZAEAAWGIW-ULJHMMPZSA-N
XLogP6.28
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.35
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-[(Z)-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-[(Z)-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-1,3-thiazol-2-amine (CID 56680596) is 4-(2,4-dichlorophenyl)-N-[(Z)-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-[(Z)-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-[(Z)-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-1,3-thiazol-2-amine is COc1cccc2c1CCC/C2=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-[(Z)-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-1,3-thiazol-2-amine?
The InChIKey is MYGFIZAEAAWGIW-ULJHMMPZSA-N. The full InChI is InChI=1S/C20H17Cl2N3OS/c1-26-19-7-3-4-13-14(19)5-2-6-17(13)24-25-20-23-18(11-27-20)15-9-8-12(21)10-16(15)22/h3-4,7-11H,2,5-6H2,1H3,(H,23,25)/b24-17-.
What are the key properties of 4-(2,4-dichlorophenyl)-N-[(Z)-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-1,3-thiazol-2-amine?
4-(2,4-dichlorophenyl)-N-[(Z)-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-1,3-thiazol-2-amine has a molecular weight of 418.35 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-[(Z)-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-1,3-thiazol-2-amine is sourced from PubChem (CID 56680596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).