2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol

C15H12F2N2OS — CID 107804707

IUPAC2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol
SMILESOC(CNc1ccc2ncsc2c1)c1ccc(F)cc1F
InChIInChI=1S/C15H12F2N2OS/c16-9-1-3-11(12(17)5-9)14(20)7-18-10-2-4-13-15(6-10)21-8-19-13/h1-6,8,14,18,20H,7H2
InChIKeyNRHOMATUDWDOKL-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.72
Rot. Bonds4

About 2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol

2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol (PubChem CID 107804707) has the molecular formula C15H12F2N2OS and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol
PubChem CID107804707
Molecular FormulaC15H12F2N2OS
Molecular Weight306.34 g/mol
Exact Mass306.06
IUPAC Name2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol
SMILESOC(CNc1ccc2ncsc2c1)c1ccc(F)cc1F
InChIInChI=1S/C15H12F2N2OS/c16-9-1-3-11(12(17)5-9)14(20)7-18-10-2-4-13-15(6-10)21-8-19-13/h1-6,8,14,18,20H,7H2
InChIKeyNRHOMATUDWDOKL-UHFFFAOYSA-N
XLogP3.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol
CID 65437921
5-(1,3-benzothiazol-6-ylamino)pentan-1-ol
CID 103868012
2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 60898778
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
N-(2-methylpentyl)-1,3-benzothiazol-6-amine
CID 107803861
4-[(1,3-benzothiazol-6-ylamino)methyl]phenol
CID 103953931
1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 107804842
N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine
CID 107804043
2-N-(1,3-benzothiazol-6-yl)-4-fluorobenzene-1,2-diamine
CID 107802777
1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 107804841
2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 107591968
1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644662

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol (CID 107804707) is 2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol is OC(CNc1ccc2ncsc2c1)c1ccc(F)cc1F.
What is the InChIKey of 2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol?
The InChIKey is NRHOMATUDWDOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2OS/c16-9-1-3-11(12(17)5-9)14(20)7-18-10-2-4-13-15(6-10)21-8-19-13/h1-6,8,14,18,20H,7H2.
What are the key properties of 2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol?
2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol has a molecular weight of 306.34 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 107804707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).