[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine

C14H13N3OS — CID 139801727

IUPAC[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine
SMILESNNc1ccc(OCc2nc3ccccc3s2)cc1
InChIInChI=1S/C14H13N3OS/c15-17-10-5-7-11(8-6-10)18-9-14-16-12-3-1-2-4-13(12)19-14/h1-8,17H,9,15H2
InChIKeyKKNHGZHYIWBXKB-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.16
Rot. Bonds4

About [4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine

[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine (PubChem CID 139801727) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine
PubChem CID139801727
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine
SMILESNNc1ccc(OCc2nc3ccccc3s2)cc1
InChIInChI=1S/C14H13N3OS/c15-17-10-5-7-11(8-6-10)18-9-14-16-12-3-1-2-4-13(12)19-14/h1-8,17H,9,15H2
InChIKeyKKNHGZHYIWBXKB-UHFFFAOYSA-N
XLogP3.16
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630917
N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methylideneamino]aniline
CID 139801856
2-[[4-(2-methylpropoxy)phenoxy]methyl]-1,3-benzothiazole
CID 72705954
N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 104630931
2-[[4-(1,3-thiazol-4-yl)phenoxy]methyl]-1,3-benzothiazole
CID 139801893
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate
CID 22442661
2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole
CID 139801734
2-[[6-(bromomethyl)-3-pyridinyl]oxymethyl]-1,3-benzothiazole
CID 104631389
1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one
CID 139801837
2-[(3-iodophenoxy)methyl]-1,3-benzothiazole
CID 113218110
2-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-4,5-dimethyl-1,2,4-triazol-3-one
CID 139801721
4-(1,3-benzothiazol-2-ylmethoxy)-2-chlorobenzenecarbothioamide
CID 102724262

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine?
The IUPAC name of [4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine (CID 139801727) is [4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine.
What is the SMILES notation for [4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine?
The canonical SMILES for [4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine is NNc1ccc(OCc2nc3ccccc3s2)cc1.
What is the InChIKey of [4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine?
The InChIKey is KKNHGZHYIWBXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c15-17-10-5-7-11(8-6-10)18-9-14-16-12-3-1-2-4-13(12)19-14/h1-8,17H,9,15H2.
What are the key properties of [4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine?
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine has a molecular weight of 271.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine is sourced from PubChem (CID 139801727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).