2-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)ethanamine

C10H11ClN2S — CID 39106792

IUPAC2-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)ethanamine
SMILESCc1cc(Cl)c2nc(CCN)sc2c1
InChIInChI=1S/C10H11ClN2S/c1-6-4-7(11)10-8(5-6)14-9(13-10)2-3-12/h4-5H,2-3,12H2,1H3
InChIKeyXTJSIIJICPOEER-UHFFFAOYSA-N
MW226.73 g/mol
LogP2.76
Rot. Bonds2

About 2-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)ethanamine

2-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)ethanamine (PubChem CID 39106792) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 2-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)ethanamine
PubChem CID39106792
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name2-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)ethanamine
SMILESCc1cc(Cl)c2nc(CCN)sc2c1
InChIInChI=1S/C10H11ClN2S/c1-6-4-7(11)10-8(5-6)14-9(13-10)2-3-12/h4-5H,2-3,12H2,1H3
InChIKeyXTJSIIJICPOEER-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-4-methyl-1,3-benzothiazol-6-ol
CID 39107177
4-chloro-6-methyl-1,3-benzothiazole-2-carboxylic acid
CID 82373317
2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39107200
2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethanamine
CID 16762381
2-(2-aminoethyl)-6-chloro-4-methylphenol
CID 83876612
2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82054706
4-bromo-6-chloro-2-(2-chloroethyl)-1,3-benzothiazole
CID 130114164
2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 39356185
3-(6-bromo-4-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107152
3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106914
2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649
5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 82485718

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)ethanamine?
The IUPAC name of 2-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)ethanamine (CID 39106792) is 2-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)ethanamine is Cc1cc(Cl)c2nc(CCN)sc2c1.
What is the InChIKey of 2-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)ethanamine?
The InChIKey is XTJSIIJICPOEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c1-6-4-7(11)10-8(5-6)14-9(13-10)2-3-12/h4-5H,2-3,12H2,1H3.
What are the key properties of 2-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)ethanamine?
2-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)ethanamine has a molecular weight of 226.73 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)ethanamine is sourced from PubChem (CID 39106792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).