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

C16H15FN2OS — CID 106262047

IUPAC5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine
SMILESCOc1ccccc1CCNc1nc2cc(F)ccc2s1
InChIInChI=1S/C16H15FN2OS/c1-20-14-5-3-2-4-11(14)8-9-18-16-19-13-10-12(17)6-7-15(13)21-16/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyKWIUAWCRDQZPRY-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.10
Rot. Bonds5

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

5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 106262047) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine
PubChem CID106262047
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine
SMILESCOc1ccccc1CCNc1nc2cc(F)ccc2s1
InChIInChI=1S/C16H15FN2OS/c1-20-14-5-3-2-4-11(14)8-9-18-16-19-13-10-12(17)6-7-15(13)21-16/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyKWIUAWCRDQZPRY-UHFFFAOYSA-N
XLogP4.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 43566520
6-fluoro-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;hydrobromide
CID 18460630
5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106419895
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2549979
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 8539439
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112872453
N-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142914
N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 114101101
5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine
CID 114119928
5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole
CID 11514632
5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 65048266
5-methoxy-2-(2-phenylethylamino)-1,3-benzothiazole-6-carboxylic acid
CID 82548344

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine (CID 106262047) is 5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine is COc1ccccc1CCNc1nc2cc(F)ccc2s1.
What is the InChIKey of 5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is KWIUAWCRDQZPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-20-14-5-3-2-4-11(14)8-9-18-16-19-13-10-12(17)6-7-15(13)21-16/h2-7,10H,8-9H2,1H3,(H,18,19).
What are the key properties of 5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine?
5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 302.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 106262047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).