1-(5-chloro-2-methyl-1,3-benzothiazol-7-yl)-N-methylmethanamine

C10H11ClN2S — CID 83892808

IUPAC1-(5-chloro-2-methyl-1,3-benzothiazol-7-yl)-N-methylmethanamine
SMILESCNCc1cc(Cl)cc2nc(C)sc12
InChIInChI=1S/C10H11ClN2S/c1-6-13-9-4-8(11)3-7(5-12-2)10(9)14-6/h3-4,12H,5H2,1-2H3
InChIKeyTXXOQIZGWKQLQK-UHFFFAOYSA-N
MW226.73 g/mol
LogP2.98
Rot. Bonds2

About 1-(5-chloro-2-methyl-1,3-benzothiazol-7-yl)-N-methylmethanamine

1-(5-chloro-2-methyl-1,3-benzothiazol-7-yl)-N-methylmethanamine (PubChem CID 83892808) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 1-(5-chloro-2-methyl-1,3-benzothiazol-7-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methyl-1,3-benzothiazol-7-yl)-N-methylmethanamine
PubChem CID83892808
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name1-(5-chloro-2-methyl-1,3-benzothiazol-7-yl)-N-methylmethanamine
SMILESCNCc1cc(Cl)cc2nc(C)sc12
InChIInChI=1S/C10H11ClN2S/c1-6-13-9-4-8(11)3-7(5-12-2)10(9)14-6/h3-4,12H,5H2,1-2H3
InChIKeyTXXOQIZGWKQLQK-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methyl-1,3-benzothiazole-7-carbaldehyde
CID 83885669
4-chloro-2-methyl-6-(methylaminomethyl)phenol
CID 115978288
7-chloro-5-fluoro-2-methyl-1,3-benzothiazole
CID 130063294
ethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine
CID 162358300
1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
CID 66679686
1-(6-chloro-2-methylquinolin-4-yl)-N-methylmethanamine
CID 82449106
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 114841659
1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854301
1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine
CID 66157503
1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine
CID 114864516
1-[5-chloro-2-(3-methylpyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854548

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methyl-1,3-benzothiazol-7-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2-methyl-1,3-benzothiazol-7-yl)-N-methylmethanamine (CID 83892808) is 1-(5-chloro-2-methyl-1,3-benzothiazol-7-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-methyl-1,3-benzothiazol-7-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2-methyl-1,3-benzothiazol-7-yl)-N-methylmethanamine is CNCc1cc(Cl)cc2nc(C)sc12.
What is the InChIKey of 1-(5-chloro-2-methyl-1,3-benzothiazol-7-yl)-N-methylmethanamine?
The InChIKey is TXXOQIZGWKQLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c1-6-13-9-4-8(11)3-7(5-12-2)10(9)14-6/h3-4,12H,5H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methyl-1,3-benzothiazol-7-yl)-N-methylmethanamine?
1-(5-chloro-2-methyl-1,3-benzothiazol-7-yl)-N-methylmethanamine has a molecular weight of 226.73 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methyl-1,3-benzothiazol-7-yl)-N-methylmethanamine is sourced from PubChem (CID 83892808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).