N-butyl-1,2-benzothiazol-5-amine

C11H14N2S — CID 130678967

IUPACN-butyl-1,2-benzothiazol-5-amine
SMILESCCCCNc1ccc2sncc2c1
InChIInChI=1S/C11H14N2S/c1-2-3-6-12-10-4-5-11-9(7-10)8-13-14-11/h4-5,7-8,12H,2-3,6H2,1H3
InChIKeyGEKQQVKXXSHRIH-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.51
Rot. Bonds4

About N-butyl-1,2-benzothiazol-5-amine

N-butyl-1,2-benzothiazol-5-amine (PubChem CID 130678967) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-butyl-1,2-benzothiazol-5-amine.

Molecular Properties

Compound NameN-butyl-1,2-benzothiazol-5-amine
PubChem CID130678967
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC NameN-butyl-1,2-benzothiazol-5-amine
SMILESCCCCNc1ccc2sncc2c1
InChIInChI=1S/C11H14N2S/c1-2-3-6-12-10-4-5-11-9(7-10)8-13-14-11/h4-5,7-8,12H,2-3,6H2,1H3
InChIKeyGEKQQVKXXSHRIH-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-chloroisoquinolin-6-amine
CID 166272993
N-(1,3-benzothiazol-2-ylmethyl)-1,2-benzothiazol-5-amine
CID 164619471
N-hexadecylnaphthalen-2-amine
CID 12796089
3-N,10-N-didodecylpicene-3,10-diamine
CID 58426475
(E)-N-(1,2-benzothiazol-5-yl)-2-methylbut-2-enamide
CID 129401437
2-methyl-N-octyl-1,3-benzothiazol-6-amine
CID 43682586
N-butyl-2,2-difluoro-1,3-benzodioxol-5-amine
CID 29277454
2-methylsulfanyl-N-pentyl-1,3-benzothiazol-6-amine
CID 43228519
7-(butylamino)-2-methylisoquinolin-1-one
CID 166187963
1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
N-butylpyrimidin-5-amine
CID 54172306
5-(butylamino)-2-methylisoindole-1,3-dione
CID 14911570

Frequently Asked Questions

What is the IUPAC name of N-butyl-1,2-benzothiazol-5-amine?
The IUPAC name of N-butyl-1,2-benzothiazol-5-amine (CID 130678967) is N-butyl-1,2-benzothiazol-5-amine.
What is the SMILES notation for N-butyl-1,2-benzothiazol-5-amine?
The canonical SMILES for N-butyl-1,2-benzothiazol-5-amine is CCCCNc1ccc2sncc2c1.
What is the InChIKey of N-butyl-1,2-benzothiazol-5-amine?
The InChIKey is GEKQQVKXXSHRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-3-6-12-10-4-5-11-9(7-10)8-13-14-11/h4-5,7-8,12H,2-3,6H2,1H3.
What are the key properties of N-butyl-1,2-benzothiazol-5-amine?
N-butyl-1,2-benzothiazol-5-amine has a molecular weight of 206.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,2-benzothiazol-5-amine is sourced from PubChem (CID 130678967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).