[2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine

C16H16ClN3S — CID 105325041

IUPAC[2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine
SMILESCc1cc(Cl)cc(C(Cc2nc3ccccc3s2)NN)c1
InChIInChI=1S/C16H16ClN3S/c1-10-6-11(8-12(17)7-10)14(20-18)9-16-19-13-4-2-3-5-15(13)21-16/h2-8,14,20H,9,18H2,1H3
InChIKeyMYELSLFRGAUUKN-UHFFFAOYSA-N
MW317.85 g/mol
LogP4.01
Rot. Bonds4

About [2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine

[2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine (PubChem CID 105325041) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine
PubChem CID105325041
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC Name[2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine
SMILESCc1cc(Cl)cc(C(Cc2nc3ccccc3s2)NN)c1
InChIInChI=1S/C16H16ClN3S/c1-10-6-11(8-12(17)7-10)14(20-18)9-16-19-13-4-2-3-5-15(13)21-16/h2-8,14,20H,9,18H2,1H3
InChIKeyMYELSLFRGAUUKN-UHFFFAOYSA-N
XLogP4.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.85
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105325082
[2-(1,3-benzothiazol-2-yl)-1-(2-bromo-4-methylphenyl)ethyl]hydrazine
CID 105325075
[2-(1,3-benzothiazol-2-yl)-1-(2-bromo-5-methylphenyl)ethyl]hydrazine
CID 105325149
[2-(1,3-benzothiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]hydrazine
CID 106694613
[2-(1,3-benzothiazol-2-yl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209241
2-(1,3-benzothiazol-2-yl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 82871636
[2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105325079
[2-(1,3-benzothiazol-2-yl)-1-pyridin-2-ylethyl]hydrazine
CID 105195863
[2-(1,3-benzothiazol-2-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222503
[1-(3-chloro-5-methylphenyl)-2-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105296773
2-(1,3-benzothiazol-2-yl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107976569
[1-(3-chloro-5-methylphenyl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105297214

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine (CID 105325041) is [2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine is Cc1cc(Cl)cc(C(Cc2nc3ccccc3s2)NN)c1.
What is the InChIKey of [2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine?
The InChIKey is MYELSLFRGAUUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-10-6-11(8-12(17)7-10)14(20-18)9-16-19-13-4-2-3-5-15(13)21-16/h2-8,14,20H,9,18H2,1H3.
What are the key properties of [2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine?
[2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine has a molecular weight of 317.85 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-yl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105325041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).