N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine

C16H15ClN2S — CID 79142758

IUPACN-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NC(C)c3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C16H15ClN2S/c1-10-3-8-14-15(9-10)20-16(19-14)18-11(2)12-4-6-13(17)7-5-12/h3-9,11H,1-2H3,(H,18,19)
InChIKeyFCJZTSMOQINQAK-UHFFFAOYSA-N
MW302.83 g/mol
LogP5.43
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine

N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 79142758) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
PubChem CID79142758
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NC(C)c3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C16H15ClN2S/c1-10-3-8-14-15(9-10)20-16(19-14)18-11(2)12-4-6-13(17)7-5-12/h3-9,11H,1-2H3,(H,18,19)
InChIKeyFCJZTSMOQINQAK-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-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879
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
6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
CID 79142414
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine
CID 66241808
5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 42645370
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142593
6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525014
5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 43524200
N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 79143180
N-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine
CID 91970272
2-chloro-6-methyl-1,3-benzothiazole
CID 2049866

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine (CID 79142758) is N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine is Cc1ccc2nc(NC(C)c3ccc(Cl)cc3)sc2c1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is FCJZTSMOQINQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-10-3-8-14-15(9-10)20-16(19-14)18-11(2)12-4-6-13(17)7-5-12/h3-9,11H,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine?
N-[1-(4-chlorophenyl)ethyl]-6-methyl-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 N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79142758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).