1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine

C11H13ClN2S — CID 64671247

IUPAC1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C11H13ClN2S/c1-11(2,13)6-10-14-8-5-7(12)3-4-9(8)15-10/h3-5H,6,13H2,1-2H3
InChIKeyKDIUDJOVDQWTLN-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.23
Rot. Bonds2

About 1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine

1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine (PubChem CID 64671247) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine
PubChem CID64671247
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C11H13ClN2S/c1-11(2,13)6-10-14-8-5-7(12)3-4-9(8)15-10/h3-5H,6,13H2,1-2H3
InChIKeyKDIUDJOVDQWTLN-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol
CID 66002968
2-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2-ethylbutanoic acid
CID 43470941
1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol
CID 79528548
2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine
CID 79142285
N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 60837389
(2S)-2-amino-N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119698364
1-tert-butyl-2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]guanidine;hydroiodide
CID 119117825
methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate
CID 79475132
N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 79257849
1-tert-butyl-3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2-methylguanidine
CID 119116065
2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine
CID 43185912
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine (CID 64671247) is 1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1nc2cc(Cl)ccc2s1.
What is the InChIKey of 1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine?
The InChIKey is KDIUDJOVDQWTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c1-11(2,13)6-10-14-8-5-7(12)3-4-9(8)15-10/h3-5H,6,13H2,1-2H3.
What are the key properties of 1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine?
1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine has a molecular weight of 240.76 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 64671247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).