6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine

C13H17ClN2S — CID 103462911

IUPAC6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine
SMILESCCC(C)(C)CNc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H17ClN2S/c1-4-13(2,3)8-15-12-16-10-6-5-9(14)7-11(10)17-12/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyLPOIUIFDCHGCGA-UHFFFAOYSA-N
MW268.81 g/mol
LogP4.80
Rot. Bonds4

About 6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine

6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine (PubChem CID 103462911) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is 6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine
PubChem CID103462911
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC Name6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine
SMILESCCC(C)(C)CNc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H17ClN2S/c1-4-13(2,3)8-15-12-16-10-6-5-9(14)7-11(10)17-12/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyLPOIUIFDCHGCGA-UHFFFAOYSA-N
XLogP4.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 103462904
3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278880
6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 106900344
6-chloro-N-(2-ethoxyethyl)-1,3-benzothiazol-2-amine
CID 79529020
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 79790796
6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine
CID 113479115
6-chloro-N-(cyclobutylmethyl)-1,3-benzothiazol-2-amine
CID 79528767
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-chloro-2-(2-methylbutan-2-yl)-1,3-benzothiazole
CID 70828604
6-chloro-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79526174

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine (CID 103462911) is 6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine is CCC(C)(C)CNc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine?
The InChIKey is LPOIUIFDCHGCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2S/c1-4-13(2,3)8-15-12-16-10-6-5-9(14)7-11(10)17-12/h5-7H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine?
6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine has a molecular weight of 268.81 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 103462911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).