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

C13H15ClN2S — CID 114111762

IUPAC6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine
SMILESCC(C)(Nc1nc2ccc(Cl)cc2s1)C1CC1
InChIInChI=1S/C13H15ClN2S/c1-13(2,8-3-4-8)16-12-15-10-6-5-9(14)7-11(10)17-12/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyMCKJBAXVINUGEA-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.55
Rot. Bonds3

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

6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 114111762) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine
PubChem CID114111762
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine
SMILESCC(C)(Nc1nc2ccc(Cl)cc2s1)C1CC1
InChIInChI=1S/C13H15ClN2S/c1-13(2,8-3-4-8)16-12-15-10-6-5-9(14)7-11(10)17-12/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyMCKJBAXVINUGEA-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine
CID 113479115
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 79528936
6-chloro-N-(cyclobutylmethyl)-1,3-benzothiazol-2-amine
CID 79528767
6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine
CID 103462911
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
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
6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528935
N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide
CID 108782575
6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine
CID 79525707
6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 21241580

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine (CID 114111762) is 6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine is CC(C)(Nc1nc2ccc(Cl)cc2s1)C1CC1.
What is the InChIKey of 6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is MCKJBAXVINUGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-13(2,8-3-4-8)16-12-15-10-6-5-9(14)7-11(10)17-12/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine?
6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 266.80 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114111762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).