[6-[(2R)-2-methylpiperidin-1-yl]-1,3-benzothiazol-2-yl]hydrazine

C13H18N4S — CID 94671928

IUPAC[6-[(2R)-2-methylpiperidin-1-yl]-1,3-benzothiazol-2-yl]hydrazine
SMILESC[C@@H]1CCCCN1c1ccc2nc(NN)sc2c1
InChIInChI=1S/C13H18N4S/c1-9-4-2-3-7-17(9)10-5-6-11-12(8-10)18-13(15-11)16-14/h5-6,8-9H,2-4,7,14H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyRLXXIIOALPTGTG-SECBINFHSA-N
MW262.38 g/mol
LogP2.96
Rot. Bonds2

About [6-[(2R)-2-methylpiperidin-1-yl]-1,3-benzothiazol-2-yl]hydrazine

[6-[(2R)-2-methylpiperidin-1-yl]-1,3-benzothiazol-2-yl]hydrazine (PubChem CID 94671928) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is [6-[(2R)-2-methylpiperidin-1-yl]-1,3-benzothiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[6-[(2R)-2-methylpiperidin-1-yl]-1,3-benzothiazol-2-yl]hydrazine
PubChem CID94671928
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name[6-[(2R)-2-methylpiperidin-1-yl]-1,3-benzothiazol-2-yl]hydrazine
SMILESC[C@@H]1CCCCN1c1ccc2nc(NN)sc2c1
InChIInChI=1S/C13H18N4S/c1-9-4-2-3-7-17(9)10-5-6-11-12(8-10)18-13(15-11)16-14/h5-6,8-9H,2-4,7,14H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyRLXXIIOALPTGTG-SECBINFHSA-N
XLogP2.96
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.96
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'}

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Related Compounds

[6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine
CID 99966649
2-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 43384883
4-(2-methylazepan-1-yl)benzene-1,2-diamine
CID 106750861
5-(2-methylpiperidin-1-yl)pyridin-2-amine
CID 43188334
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
6-methyl-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 78908981
2-chloro-4-(2-methylpiperidin-1-yl)benzenecarbothioamide
CID 62948273
(2-hydrazinyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl)hydrazine
CID 50882373
[2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 169489236
4-[(2S)-2-methylpiperidin-1-yl]-2-(trifluoromethyl)aniline
CID 30048695
6-[(2S)-2-methylpiperidin-1-yl]-5-nitro-1,3-benzothiazol-2-amine
CID 28689486
2-(2-ethylazepan-1-yl)-1,3-benzothiazol-6-amine
CID 104688859

Frequently Asked Questions

What is the IUPAC name of [6-[(2R)-2-methylpiperidin-1-yl]-1,3-benzothiazol-2-yl]hydrazine?
The IUPAC name of [6-[(2R)-2-methylpiperidin-1-yl]-1,3-benzothiazol-2-yl]hydrazine (CID 94671928) is [6-[(2R)-2-methylpiperidin-1-yl]-1,3-benzothiazol-2-yl]hydrazine.
What is the SMILES notation for [6-[(2R)-2-methylpiperidin-1-yl]-1,3-benzothiazol-2-yl]hydrazine?
The canonical SMILES for [6-[(2R)-2-methylpiperidin-1-yl]-1,3-benzothiazol-2-yl]hydrazine is C[C@@H]1CCCCN1c1ccc2nc(NN)sc2c1.
What is the InChIKey of [6-[(2R)-2-methylpiperidin-1-yl]-1,3-benzothiazol-2-yl]hydrazine?
The InChIKey is RLXXIIOALPTGTG-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9-4-2-3-7-17(9)10-5-6-11-12(8-10)18-13(15-11)16-14/h5-6,8-9H,2-4,7,14H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of [6-[(2R)-2-methylpiperidin-1-yl]-1,3-benzothiazol-2-yl]hydrazine?
[6-[(2R)-2-methylpiperidin-1-yl]-1,3-benzothiazol-2-yl]hydrazine has a molecular weight of 262.38 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2R)-2-methylpiperidin-1-yl]-1,3-benzothiazol-2-yl]hydrazine is sourced from PubChem (CID 94671928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).