2-(2-amino-1,3-benzothiazol-4-yl)-5-(trifluoromethyl)phenol

C14H9F3N2OS — CID 87736788

IUPAC2-(2-amino-1,3-benzothiazol-4-yl)-5-(trifluoromethyl)phenol
SMILESNc1nc2c(-c3ccc(C(F)(F)F)cc3O)cccc2s1
InChIInChI=1S/C14H9F3N2OS/c15-14(16,17)7-4-5-8(10(20)6-7)9-2-1-3-11-12(9)19-13(18)21-11/h1-6,20H,(H2,18,19)
InChIKeyDISPFAFHGDADKR-UHFFFAOYSA-N
MW310.30 g/mol
LogP4.27
Rot. Bonds1

About 2-(2-amino-1,3-benzothiazol-4-yl)-5-(trifluoromethyl)phenol

2-(2-amino-1,3-benzothiazol-4-yl)-5-(trifluoromethyl)phenol (PubChem CID 87736788) has the molecular formula C14H9F3N2OS and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-(2-amino-1,3-benzothiazol-4-yl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(2-amino-1,3-benzothiazol-4-yl)-5-(trifluoromethyl)phenol
PubChem CID87736788
Molecular FormulaC14H9F3N2OS
Molecular Weight310.30 g/mol
Exact Mass310.04
IUPAC Name2-(2-amino-1,3-benzothiazol-4-yl)-5-(trifluoromethyl)phenol
SMILESNc1nc2c(-c3ccc(C(F)(F)F)cc3O)cccc2s1
InChIInChI=1S/C14H9F3N2OS/c15-14(16,17)7-4-5-8(10(20)6-7)9-2-1-3-11-12(9)19-13(18)21-11/h1-6,20H,(H2,18,19)
InChIKeyDISPFAFHGDADKR-UHFFFAOYSA-N
XLogP4.27
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 135218835
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol
CID 118806468
2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 14980663
5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-benzothiazole-2,4-diamine
CID 22135546
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
3-(2-amino-1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfinic acid
CID 123902771
4-[6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]oxy-1,3-benzothiazol-2-amine
CID 11463370
4-(2-amino-1,3-benzothiazol-4-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide
CID 149157312
4-(2-amino-1,3-benzothiazol-4-yl)-1-N-(azetidin-1-ium-3-yl)-1-N-methyl-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;2,2,2-trifluoroacetate
CID 135311036
2-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol
CID 146171671
3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
CID 134823541
2-pyridin-3-yl-5-(trifluoromethyl)phenol
CID 46317345

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-benzothiazol-4-yl)-5-(trifluoromethyl)phenol?
The IUPAC name of 2-(2-amino-1,3-benzothiazol-4-yl)-5-(trifluoromethyl)phenol (CID 87736788) is 2-(2-amino-1,3-benzothiazol-4-yl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(2-amino-1,3-benzothiazol-4-yl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-(2-amino-1,3-benzothiazol-4-yl)-5-(trifluoromethyl)phenol is Nc1nc2c(-c3ccc(C(F)(F)F)cc3O)cccc2s1.
What is the InChIKey of 2-(2-amino-1,3-benzothiazol-4-yl)-5-(trifluoromethyl)phenol?
The InChIKey is DISPFAFHGDADKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2OS/c15-14(16,17)7-4-5-8(10(20)6-7)9-2-1-3-11-12(9)19-13(18)21-11/h1-6,20H,(H2,18,19).
What are the key properties of 2-(2-amino-1,3-benzothiazol-4-yl)-5-(trifluoromethyl)phenol?
2-(2-amino-1,3-benzothiazol-4-yl)-5-(trifluoromethyl)phenol has a molecular weight of 310.30 g/mol, XLogP of 4.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-benzothiazol-4-yl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 87736788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).