1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol

C11H13ClN2OS — CID 79528548

IUPAC1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C11H13ClN2OS/c1-11(15,6-13)5-10-14-8-3-2-7(12)4-9(8)16-10/h2-4,15H,5-6,13H2,1H3
InChIKeyJFYCBHKIYSOPCD-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.20
Rot. Bonds3

About 1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol

1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol (PubChem CID 79528548) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol
PubChem CID79528548
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C11H13ClN2OS/c1-11(15,6-13)5-10-14-8-3-2-7(12)4-9(8)16-10/h2-4,15H,5-6,13H2,1H3
InChIKeyJFYCBHKIYSOPCD-UHFFFAOYSA-N
XLogP2.20
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol
CID 66002968
4-(6-chloro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanoic acid
CID 79527845
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 79528460
1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine
CID 64671247
4-[2-(6-chloro-1,3-benzothiazol-2-yl)ethyl]aniline
CID 115340106
(6-chloro-1,3-benzothiazol-2-yl)methylphosphonic acid
CID 122438694
1,5-bis(6-chloro-1,3-benzothiazol-2-yl)pentan-3-one
CID 174833116
2-bromo-6-chloro-1,3-benzothiazole;bromozinc(1+);6-chloro-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;1,1,1-trifluoro-2-methanidyl-2-methylpropane
CID 160951166
2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine
CID 79142285
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 79528112
6-chloro-2-(2-methylbutan-2-yl)-1,3-benzothiazole
CID 70828604
1-(1,3-benzothiazol-2-yl)-2-methylbutan-2-ol
CID 79819076

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol (CID 79528548) is 1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol is CC(O)(CN)Cc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol?
The InChIKey is JFYCBHKIYSOPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-11(15,6-13)5-10-14-8-3-2-7(12)4-9(8)16-10/h2-4,15H,5-6,13H2,1H3.
What are the key properties of 1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol?
1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol has a molecular weight of 256.76 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 79528548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).