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

C15H12ClFN2S — CID 63544982

IUPACN-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine
SMILESCC(Nc1nc2cc(F)ccc2s1)c1ccccc1Cl
InChIInChI=1S/C15H12ClFN2S/c1-9(11-4-2-3-5-12(11)16)18-15-19-13-8-10(17)6-7-14(13)20-15/h2-9H,1H3,(H,18,19)
InChIKeyILBPBZYQLQTOSE-UHFFFAOYSA-N
MW306.79 g/mol
LogP5.26
Rot. Bonds3

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

N-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine (PubChem CID 63544982) has the molecular formula C15H12ClFN2S and a molecular weight of 306.79 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine
PubChem CID63544982
Molecular FormulaC15H12ClFN2S
Molecular Weight306.79 g/mol
Exact Mass306.04
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine
SMILESCC(Nc1nc2cc(F)ccc2s1)c1ccccc1Cl
InChIInChI=1S/C15H12ClFN2S/c1-9(11-4-2-3-5-12(11)16)18-15-19-13-8-10(17)6-7-14(13)20-15/h2-9H,1H3,(H,18,19)
InChIKeyILBPBZYQLQTOSE-UHFFFAOYSA-N
XLogP5.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.79
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 43306407
5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 42645370
N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306998
2-N-(5-fluoro-1,3-benzothiazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61478242
5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 65048266
6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525014
6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525971
5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 113494981
2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 61478157
2-[1-(2-chlorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569922
5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 43524200
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-chloro-4-fluoroaniline
CID 43086158

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine (CID 63544982) is N-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine is CC(Nc1nc2cc(F)ccc2s1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is ILBPBZYQLQTOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2S/c1-9(11-4-2-3-5-12(11)16)18-15-19-13-8-10(17)6-7-14(13)20-15/h2-9H,1H3,(H,18,19).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine?
N-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 306.79 g/mol, XLogP of 5.26, 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]-5-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 63544982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).