[1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine

C14H21N3S2 — CID 105226468

IUPAC[1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine
SMILESCC(C)(C)SCC(Cc1nc2ccccc2s1)NN
InChIInChI=1S/C14H21N3S2/c1-14(2,3)18-9-10(17-15)8-13-16-11-6-4-5-7-12(11)19-13/h4-7,10,17H,8-9,15H2,1-3H3
InChIKeyLIWNDDOATRAGQV-UHFFFAOYSA-N
MW295.48 g/mol
LogP3.20
Rot. Bonds5

About [1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine

[1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine (PubChem CID 105226468) has the molecular formula C14H21N3S2 and a molecular weight of 295.48 g/mol. Its IUPAC name is [1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine
PubChem CID105226468
Molecular FormulaC14H21N3S2
Molecular Weight295.48 g/mol
Exact Mass295.12
IUPAC Name[1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine
SMILESCC(C)(C)SCC(Cc1nc2ccccc2s1)NN
InChIInChI=1S/C14H21N3S2/c1-14(2,3)18-9-10(17-15)8-13-16-11-6-4-5-7-12(11)19-13/h4-7,10,17H,8-9,15H2,1-3H3
InChIKeyLIWNDDOATRAGQV-UHFFFAOYSA-N
XLogP3.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 53.20
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

1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine
CID 105245702
[1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206383
[1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105325137
[1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105214676
[1-(1,3-benzothiazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 105273449
[1-(1,3-benzothiazol-2-yl)-5-ethoxypentan-2-yl]hydrazine
CID 105325091
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 79819432
2-(1,3-benzothiazol-2-ylmethyl)-N-tert-butyl-3-methylbutan-1-amine
CID 104631810
[1-(1,3-benzothiazol-2-yl)-3-(cyclohexen-1-yl)propan-2-yl]hydrazine
CID 105270009
[2-(1,3-benzothiazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]hydrazine
CID 105325144
1-(1,3-benzothiazol-2-yl)-3-methyl-4-methylsulfanylbutan-2-amine
CID 114222019

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine (CID 105226468) is [1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine is CC(C)(C)SCC(Cc1nc2ccccc2s1)NN.
What is the InChIKey of [1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine?
The InChIKey is LIWNDDOATRAGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S2/c1-14(2,3)18-9-10(17-15)8-13-16-11-6-4-5-7-12(11)19-13/h4-7,10,17H,8-9,15H2,1-3H3.
What are the key properties of [1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine?
[1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine has a molecular weight of 295.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 105226468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).