N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine

C11H13ClN2S — CID 79528112

IUPACN-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C11H13ClN2S/c1-7(2)13-6-11-14-9-4-3-8(12)5-10(9)15-11/h3-5,7,13H,6H2,1-2H3
InChIKeyWHHKUYJVNUTIIS-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.45
Rot. Bonds3

About N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine

N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine (PubChem CID 79528112) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
PubChem CID79528112
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC NameN-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C11H13ClN2S/c1-7(2)13-6-11-14-9-4-3-8(12)5-10(9)15-11/h3-5,7,13H,6H2,1-2H3
InChIKeyWHHKUYJVNUTIIS-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine 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

N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 60837389
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 79528460
N-[(6-methylsulfanyl-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 84634721
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]prop-2-en-1-amine
CID 79529056
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 79528103
N-[1-(6-chloro-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
CID 79873391
6-chloro-2-propan-2-yl-1,3-benzothiazole
CID 18340659
(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
1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol
CID 79528548
3-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-methylpentan-2-yl)propanamide
CID 142442834
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine (CID 79528112) is N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine is CC(C)NCc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine?
The InChIKey is WHHKUYJVNUTIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c1-7(2)13-6-11-14-9-4-3-8(12)5-10(9)15-11/h3-5,7,13H,6H2,1-2H3.
What are the key properties of N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine?
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine has a molecular weight of 240.76 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 79528112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).