2-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-4-methoxyphenol

C18H15N3O4S — CID 71568843

IUPAC2-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-4-methoxyphenol
SMILESCOc1ccc(O)c(-c2csc(N/N=C/c3ccc4c(c3)OCO4)n2)c1
InChIInChI=1S/C18H15N3O4S/c1-23-12-3-4-15(22)13(7-12)14-9-26-18(20-14)21-19-8-11-2-5-16-17(6-11)25-10-24-16/h2-9,22H,10H2,1H3,(H,20,21)/b19-8+
InChIKeyYIJSCLFDJHXNNO-UFWORHAWSA-N
MW369.40 g/mol
LogP3.70
Rot. Bonds5

About 2-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-4-methoxyphenol

2-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-4-methoxyphenol (PubChem CID 71568843) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-4-methoxyphenol
PubChem CID71568843
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name2-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-4-methoxyphenol
SMILESCOc1ccc(O)c(-c2csc(N/N=C/c3ccc4c(c3)OCO4)n2)c1
InChIInChI=1S/C18H15N3O4S/c1-23-12-3-4-15(22)13(7-12)14-9-26-18(20-14)21-19-8-11-2-5-16-17(6-11)25-10-24-16/h2-9,22H,10H2,1H3,(H,20,21)/b19-8+
InChIKeyYIJSCLFDJHXNNO-UFWORHAWSA-N
XLogP3.70
TPSA85.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[(Z)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135754061
4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110535315
4-(2-methoxyphenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 8878425
4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 136822056
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548
N-[[6-(4-methoxyphenyl)-1,3-benzodioxol-5-yl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619399
4-methoxy-2-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 46204454
2-[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-4-chlorophenol
CID 84564796
4-methoxy-2-[2-[(2E)-2-(1-pyridin-4-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 46204456
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylideneamino)-4-methyl-1,3-thiazol-2-amine
CID 168618421
4-(3-methoxyphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536570
2,6-ditert-butyl-4-[2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol bromide
CID 21179316

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-4-methoxyphenol?
The IUPAC name of 2-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-4-methoxyphenol (CID 71568843) is 2-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-4-methoxyphenol.
What is the SMILES notation for 2-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-4-methoxyphenol?
The canonical SMILES for 2-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-4-methoxyphenol is COc1ccc(O)c(-c2csc(N/N=C/c3ccc4c(c3)OCO4)n2)c1.
What is the InChIKey of 2-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-4-methoxyphenol?
The InChIKey is YIJSCLFDJHXNNO-UFWORHAWSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-23-12-3-4-15(22)13(7-12)14-9-26-18(20-14)21-19-8-11-2-5-16-17(6-11)25-10-24-16/h2-9,22H,10H2,1H3,(H,20,21)/b19-8+.
What are the key properties of 2-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-4-methoxyphenol?
2-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-4-methoxyphenol has a molecular weight of 369.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-4-methoxyphenol is sourced from PubChem (CID 71568843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).