6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine

C11H11ClN2S — CID 79525447

IUPAC6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(NC3CCC3)sc2c1
InChIInChI=1S/C11H11ClN2S/c12-7-4-5-9-10(6-7)15-11(14-9)13-8-2-1-3-8/h4-6,8H,1-3H2,(H,13,14)
InChIKeyIKQYBVOWKVXAIT-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.91
Rot. Bonds2

About 6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine

6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine (PubChem CID 79525447) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
PubChem CID79525447
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(NC3CCC3)sc2c1
InChIInChI=1S/C11H11ClN2S/c12-7-4-5-9-10(6-7)15-11(14-9)13-8-2-1-3-8/h4-6,8H,1-3H2,(H,13,14)
InChIKeyIKQYBVOWKVXAIT-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528935
6-chloro-N-(cyclobutylmethyl)-1,3-benzothiazol-2-amine
CID 79528767
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine
CID 113479115
6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 79528936
6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 114111762
6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
CID 45496579
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
(1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol
CID 122438770
5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine
CID 64742832
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine (CID 79525447) is 6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine is Clc1ccc2nc(NC3CCC3)sc2c1.
What is the InChIKey of 6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine?
The InChIKey is IKQYBVOWKVXAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c12-7-4-5-9-10(6-7)15-11(14-9)13-8-2-1-3-8/h4-6,8H,1-3H2,(H,13,14).
What are the key properties of 6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine?
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine has a molecular weight of 238.74 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79525447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).