(4-decoxy-1,3-benzothiazol-2-yl)hydrazine

C17H27N3OS — CID 154476426

IUPAC(4-decoxy-1,3-benzothiazol-2-yl)hydrazine
SMILESCCCCCCCCCCOc1cccc2sc(NN)nc12
InChIInChI=1S/C17H27N3OS/c1-2-3-4-5-6-7-8-9-13-21-14-11-10-12-15-16(14)19-17(20-18)22-15/h10-12H,2-9,13,18H2,1H3,(H,19,20)
InChIKeyHDFHAVOTDLECCJ-UHFFFAOYSA-N
MW321.49 g/mol
LogP5.10
Rot. Bonds11

About (4-decoxy-1,3-benzothiazol-2-yl)hydrazine

(4-decoxy-1,3-benzothiazol-2-yl)hydrazine (PubChem CID 154476426) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is (4-decoxy-1,3-benzothiazol-2-yl)hydrazine.

Molecular Properties

Compound Name(4-decoxy-1,3-benzothiazol-2-yl)hydrazine
PubChem CID154476426
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name(4-decoxy-1,3-benzothiazol-2-yl)hydrazine
SMILESCCCCCCCCCCOc1cccc2sc(NN)nc12
InChIInChI=1S/C17H27N3OS/c1-2-3-4-5-6-7-8-9-13-21-14-11-10-12-15-16(14)19-17(20-18)22-15/h10-12H,2-9,13,18H2,1H3,(H,19,20)
InChIKeyHDFHAVOTDLECCJ-UHFFFAOYSA-N
XLogP5.10
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.49
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hexoxy-1,3-benzothiazole
CID 54068927
2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190296
2-methyl-4-pentoxy-1H-benzimidazole
CID 90997135
2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190222
4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine
CID 82190245
(4-chloro-1,3-benzothiazol-2-yl)hydrazine
CID 2049837
(3-pentoxy-2-pyridinyl)hydrazine
CID 55281396
N-[(4-butoxy-1,3-benzothiazol-2-yl)sulfanyl]cyclohexanamine
CID 18327019
4-[[2-(2,2-dimethylpropyl)-1,3-benzothiazol-4-yl]oxy]butan-1-amine
CID 82190317
3-[(2-propan-2-yl-1,3-benzothiazol-4-yl)oxy]propan-1-amine
CID 82190183
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170

Frequently Asked Questions

What is the IUPAC name of (4-decoxy-1,3-benzothiazol-2-yl)hydrazine?
The IUPAC name of (4-decoxy-1,3-benzothiazol-2-yl)hydrazine (CID 154476426) is (4-decoxy-1,3-benzothiazol-2-yl)hydrazine.
What is the SMILES notation for (4-decoxy-1,3-benzothiazol-2-yl)hydrazine?
The canonical SMILES for (4-decoxy-1,3-benzothiazol-2-yl)hydrazine is CCCCCCCCCCOc1cccc2sc(NN)nc12.
What is the InChIKey of (4-decoxy-1,3-benzothiazol-2-yl)hydrazine?
The InChIKey is HDFHAVOTDLECCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-2-3-4-5-6-7-8-9-13-21-14-11-10-12-15-16(14)19-17(20-18)22-15/h10-12H,2-9,13,18H2,1H3,(H,19,20).
What are the key properties of (4-decoxy-1,3-benzothiazol-2-yl)hydrazine?
(4-decoxy-1,3-benzothiazol-2-yl)hydrazine has a molecular weight of 321.49 g/mol, XLogP of 5.10, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-decoxy-1,3-benzothiazol-2-yl)hydrazine is sourced from PubChem (CID 154476426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).