2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol

C10H7Cl2N3OS — CID 71600038

IUPAC2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol
SMILESOc1csc(N/N=C/c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H7Cl2N3OS/c11-7-2-1-6(8(12)3-7)4-13-15-10-14-9(16)5-17-10/h1-5,16H,(H,14,15)/b13-4+
InChIKeyNWHFOQTUAXRMMX-YIXHJXPBSA-N
MW288.16 g/mol
LogP3.60
Rot. Bonds3

About 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol

2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol (PubChem CID 71600038) has the molecular formula C10H7Cl2N3OS and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol
PubChem CID71600038
Molecular FormulaC10H7Cl2N3OS
Molecular Weight288.16 g/mol
Exact Mass286.97
IUPAC Name2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol
SMILESOc1csc(N/N=C/c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H7Cl2N3OS/c11-7-2-1-6(8(12)3-7)4-13-15-10-14-9(16)5-17-10/h1-5,16H,(H,14,15)/b13-4+
InChIKeyNWHFOQTUAXRMMX-YIXHJXPBSA-N
XLogP3.60
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.60
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

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110532002
3-[[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 3741359
2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol
CID 177477020
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 135822187
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 139068920
4-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3138865
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine
CID 139237894
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 96890236
N-[(2,4-dichlorophenyl)methylideneamino]methanamine
CID 67650124
2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135685310

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol (CID 71600038) is 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol is Oc1csc(N/N=C/c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol?
The InChIKey is NWHFOQTUAXRMMX-YIXHJXPBSA-N. The full InChI is InChI=1S/C10H7Cl2N3OS/c11-7-2-1-6(8(12)3-7)4-13-15-10-14-9(16)5-17-10/h1-5,16H,(H,14,15)/b13-4+.
What are the key properties of 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol?
2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol has a molecular weight of 288.16 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 71600038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).