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

C13H15ClN2S — CID 113479115

IUPAC6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(NCCC3CCC3)sc2c1
InChIInChI=1S/C13H15ClN2S/c14-10-4-5-11-12(8-10)17-13(16-11)15-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7H2,(H,15,16)
InChIKeyNFCVJKPHPFCBQC-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.55
Rot. Bonds4

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

6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine (PubChem CID 113479115) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine
PubChem CID113479115
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(NCCC3CCC3)sc2c1
InChIInChI=1S/C13H15ClN2S/c14-10-4-5-11-12(8-10)17-13(16-11)15-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7H2,(H,15,16)
InChIKeyNFCVJKPHPFCBQC-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(cyclobutylmethyl)-1,3-benzothiazol-2-amine
CID 79528767
5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine
CID 63545700
N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 113479111
6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 79528936
N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144535
N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519168
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 114111762
6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 21241580
6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine
CID 103462911
6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine
CID 79525165
6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine
CID 114096567

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine (CID 113479115) is 6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine is Clc1ccc2nc(NCCC3CCC3)sc2c1.
What is the InChIKey of 6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is NFCVJKPHPFCBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c14-10-4-5-11-12(8-10)17-13(16-11)15-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7H2,(H,15,16).
What are the key properties of 6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine?
6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 266.80 g/mol, XLogP of 4.55, 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-cyclobutylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 113479115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).