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

C15H13FN2S — CID 154866245

IUPACN-[1-(2-fluorophenyl)ethyl]-1,2-benzothiazol-5-amine
SMILESCC(Nc1ccc2sncc2c1)c1ccccc1F
InChIInChI=1S/C15H13FN2S/c1-10(13-4-2-3-5-14(13)16)18-12-6-7-15-11(8-12)9-17-19-15/h2-10,18H,1H3
InChIKeyAGBMUASUPKOLMT-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.61
Rot. Bonds3

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

N-[1-(2-fluorophenyl)ethyl]-1,2-benzothiazol-5-amine (PubChem CID 154866245) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-1,2-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-1,2-benzothiazol-5-amine
PubChem CID154866245
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-1,2-benzothiazol-5-amine
SMILESCC(Nc1ccc2sncc2c1)c1ccccc1F
InChIInChI=1S/C15H13FN2S/c1-10(13-4-2-3-5-14(13)16)18-12-6-7-15-11(8-12)9-17-19-15/h2-10,18H,1H3
InChIKeyAGBMUASUPKOLMT-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1,2-Benzothiazol-5-ylamino)methyl]thiophene-2-carbonitrile
CID 164611856
N-(1,2-benzothiazol-5-yl)-4,4,4-trifluorobutanamide
CID 99833367
(2S)-N-(1,2-benzothiazol-5-yl)-2-methylpiperidine-1-carboxamide
CID 99840974
N-(1,2-Benzisothiazol-5-yl)-N'-[4-(trifluoromethyl)benzyl]urea
CID 11268163
5-Amino-6-fluoro-3-(3-methyl-2-pyridyl)-1,2-benzisothiazole
CID 11288411
6-Fluoro-3-pyridin-2-yl-1,2-benzothiazol-5-amine
CID 20634346
N-(4-cyclopropyl-2-fluorophenyl)-1,2-benzothiazol-7-amine
CID 67083704
1-(1,2-Benzothiazol-6-yl)-3-[(4-fluorophenyl)methyl]urea
CID 70645052
(2S)-2-amino-N-(1,2-benzothiazol-5-yl)-3-(3,5-difluorophenyl)-N-methylpropanamide
CID 122647143
N-(2-fluoro-4-iodophenyl)-1,2-benzothiazol-4-amine
CID 123926490
2-amino-N-(1,2-benzothiazol-5-yl)-3-(3,5-difluorophenyl)-N-methylpropanamide
CID 145175963
7-fluoro-N-methyl-1,2-benzothiazol-6-amine
CID 167245097

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-1,2-benzothiazol-5-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-1,2-benzothiazol-5-amine (CID 154866245) is N-[1-(2-fluorophenyl)ethyl]-1,2-benzothiazol-5-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-1,2-benzothiazol-5-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-1,2-benzothiazol-5-amine is CC(Nc1ccc2sncc2c1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-1,2-benzothiazol-5-amine?
The InChIKey is AGBMUASUPKOLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c1-10(13-4-2-3-5-14(13)16)18-12-6-7-15-11(8-12)9-17-19-15/h2-10,18H,1H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-1,2-benzothiazol-5-amine?
N-[1-(2-fluorophenyl)ethyl]-1,2-benzothiazol-5-amine has a molecular weight of 272.35 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-1,2-benzothiazol-5-amine is sourced from PubChem (CID 154866245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).