N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazol-5-amine

C15H13ClN2S — CID 154860585

IUPACN-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazol-5-amine
SMILESCC(Nc1ccc2scnc2c1)c1ccccc1Cl
InChIInChI=1S/C15H13ClN2S/c1-10(12-4-2-3-5-13(12)16)18-11-6-7-15-14(8-11)17-9-19-15/h2-10,18H,1H3
InChIKeyKQEWYKNJRURWKP-UHFFFAOYSA-N
MW288.80 g/mol
LogP5.12
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazol-5-amine

N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazol-5-amine (PubChem CID 154860585) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazol-5-amine
PubChem CID154860585
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazol-5-amine
SMILESCC(Nc1ccc2scnc2c1)c1ccccc1Cl
InChIInChI=1S/C15H13ClN2S/c1-10(12-4-2-3-5-13(12)16)18-11-6-7-15-14(8-11)17-9-19-15/h2-10,18H,1H3
InChIKeyKQEWYKNJRURWKP-UHFFFAOYSA-N
XLogP5.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.80
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine
CID 113228015
N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 112759028
N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 141011393
N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline
CID 43088325
1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine
CID 55132685
3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline
CID 43079492
N-[1-(2-chlorophenyl)ethyl]-6-methoxypyridin-3-amine
CID 43189825
5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile
CID 79840053
N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline
CID 54864881
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine
CID 107803759
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine
CID 107803954
3-N-[1-(2-chlorophenyl)ethyl]-5-methylbenzene-1,3-diamine
CID 112647468

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazol-5-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazol-5-amine (CID 154860585) is N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazol-5-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazol-5-amine is CC(Nc1ccc2scnc2c1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazol-5-amine?
The InChIKey is KQEWYKNJRURWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-10(12-4-2-3-5-13(12)16)18-11-6-7-15-14(8-11)17-9-19-15/h2-10,18H,1H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazol-5-amine?
N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazol-5-amine has a molecular weight of 288.80 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazol-5-amine is sourced from PubChem (CID 154860585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).