6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine

C16H15ClN2S — CID 79525014

IUPAC6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine
SMILESCc1ccccc1C(C)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C16H15ClN2S/c1-10-5-3-4-6-13(10)11(2)18-16-19-14-8-7-12(17)9-15(14)20-16/h3-9,11H,1-2H3,(H,18,19)
InChIKeyZKJZMMKDXAHGHO-UHFFFAOYSA-N
MW302.83 g/mol
LogP5.43
Rot. Bonds3

About 6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine

6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 79525014) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine
PubChem CID79525014
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine
SMILESCc1ccccc1C(C)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C16H15ClN2S/c1-10-5-3-4-6-13(10)11(2)18-16-19-14-8-7-12(17)9-15(14)20-16/h3-9,11H,1-2H3,(H,18,19)
InChIKeyZKJZMMKDXAHGHO-UHFFFAOYSA-N
XLogP5.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.83
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525971
N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine
CID 79524862
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142758
6-chloro-N-(4-phenylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 79526366
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 43306407
6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 79525887
6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
N-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 63544982
6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine
CID 79525693
6-chloro-2-propan-2-yl-1,3-benzothiazole
CID 18340659
6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 79528250

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine (CID 79525014) is 6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine is Cc1ccccc1C(C)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is ZKJZMMKDXAHGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-10-5-3-4-6-13(10)11(2)18-16-19-14-8-7-12(17)9-15(14)20-16/h3-9,11H,1-2H3,(H,18,19).
What are the key properties of 6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine?
6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 302.83 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79525014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).