5-chloro-N-[1-(3-methylphenyl)ethyl]-1,3-benzothiazol-4-amine

C16H15ClN2S — CID 43779325

IUPAC5-chloro-N-[1-(3-methylphenyl)ethyl]-1,3-benzothiazol-4-amine
SMILESCc1cccc(C(C)Nc2c(Cl)ccc3scnc23)c1
InChIInChI=1S/C16H15ClN2S/c1-10-4-3-5-12(8-10)11(2)19-15-13(17)6-7-14-16(15)18-9-20-14/h3-9,11,19H,1-2H3
InChIKeyMECDEVCYSFJETL-UHFFFAOYSA-N
MW302.83 g/mol
LogP5.43
Rot. Bonds3

About 5-chloro-N-[1-(3-methylphenyl)ethyl]-1,3-benzothiazol-4-amine

5-chloro-N-[1-(3-methylphenyl)ethyl]-1,3-benzothiazol-4-amine (PubChem CID 43779325) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 5-chloro-N-[1-(3-methylphenyl)ethyl]-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(3-methylphenyl)ethyl]-1,3-benzothiazol-4-amine
PubChem CID43779325
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name5-chloro-N-[1-(3-methylphenyl)ethyl]-1,3-benzothiazol-4-amine
SMILESCc1cccc(C(C)Nc2c(Cl)ccc3scnc23)c1
InChIInChI=1S/C16H15ClN2S/c1-10-4-3-5-12(8-10)11(2)19-15-13(17)6-7-14-16(15)18-9-20-14/h3-9,11,19H,1-2H3
InChIKeyMECDEVCYSFJETL-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

5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3-benzothiazol-4-amine
CID 43674787
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-4-amine
CID 43674854
4-[1-[(5-chloro-1,3-benzothiazol-4-yl)amino]ethyl]-3-fluorophenol
CID 107714756
5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 63427985
5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine
CID 63449094
5-chloro-N-[(2,4,6-trimethylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674748
5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine
CID 43674780
2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758710
N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide
CID 81481599
5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 106816279
N-[1-(3-methylphenyl)ethyl]pyridin-2-amine
CID 115916909
5-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-1,3-benzothiazol-4-amine
CID 63428032

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3-methylphenyl)ethyl]-1,3-benzothiazol-4-amine?
The IUPAC name of 5-chloro-N-[1-(3-methylphenyl)ethyl]-1,3-benzothiazol-4-amine (CID 43779325) is 5-chloro-N-[1-(3-methylphenyl)ethyl]-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-chloro-N-[1-(3-methylphenyl)ethyl]-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-chloro-N-[1-(3-methylphenyl)ethyl]-1,3-benzothiazol-4-amine is Cc1cccc(C(C)Nc2c(Cl)ccc3scnc23)c1.
What is the InChIKey of 5-chloro-N-[1-(3-methylphenyl)ethyl]-1,3-benzothiazol-4-amine?
The InChIKey is MECDEVCYSFJETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-10-4-3-5-12(8-10)11(2)19-15-13(17)6-7-14-16(15)18-9-20-14/h3-9,11,19H,1-2H3.
What are the key properties of 5-chloro-N-[1-(3-methylphenyl)ethyl]-1,3-benzothiazol-4-amine?
5-chloro-N-[1-(3-methylphenyl)ethyl]-1,3-benzothiazol-4-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 5-chloro-N-[1-(3-methylphenyl)ethyl]-1,3-benzothiazol-4-amine is sourced from PubChem (CID 43779325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).