4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol

C17H13Cl2N3OS — CID 171978845

IUPAC4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
SMILESC/C(=N\Nc1nc(-c2ccc(O)cc2)cs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2N3OS/c1-10(12-4-7-14(18)15(19)8-12)21-22-17-20-16(9-24-17)11-2-5-13(23)6-3-11/h2-9,23H,1H3,(H,20,22)/b21-10+
InChIKeyJXFPNVAFCXJJRB-UFFVCSGVSA-N
MW378.28 g/mol
LogP5.66
Rot. Bonds4

About 4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol

4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol (PubChem CID 171978845) has the molecular formula C17H13Cl2N3OS and a molecular weight of 378.28 g/mol. Its IUPAC name is 4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
PubChem CID171978845
Molecular FormulaC17H13Cl2N3OS
Molecular Weight378.28 g/mol
Exact Mass377.02
IUPAC Name4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
SMILESC/C(=N\Nc1nc(-c2ccc(O)cc2)cs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2N3OS/c1-10(12-4-7-14(18)15(19)8-12)21-22-17-20-16(9-24-17)11-2-5-13(23)6-3-11/h2-9,23H,1H3,(H,20,22)/b21-10+
InChIKeyJXFPNVAFCXJJRB-UFFVCSGVSA-N
XLogP5.66
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.28
LogP ≤ 55.66
H-Bond Donors ≤ 52
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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Related Compounds

4-[C-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]carbonimidoyl]phenol
CID 4232846
4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 5333462
N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 139236117
N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 6161650
2-[(E)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-C-methylcarbonimidoyl]benzene-1,3,5-triol
CID 136503698
N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 3136078
4-[2-[(2E)-2-[1-(4,5-dimethoxy-2-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide
CID 172885906
4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484377
4-(4-chlorophenyl)-N-[1-(4-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 2845173
4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine
CID 17163601
4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
CID 90665494
2-[(E)-C-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]benzene-1,3,5-triol
CID 136627447

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol?
The IUPAC name of 4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol (CID 171978845) is 4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol is C/C(=N\Nc1nc(-c2ccc(O)cc2)cs1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol?
The InChIKey is JXFPNVAFCXJJRB-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H13Cl2N3OS/c1-10(12-4-7-14(18)15(19)8-12)21-22-17-20-16(9-24-17)11-2-5-13(23)6-3-11/h2-9,23H,1H3,(H,20,22)/b21-10+.
What are the key properties of 4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol?
4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol has a molecular weight of 378.28 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 171978845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).