6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1,3-benzothiazol-2-amine

C20H14F2N6OS — CID 162721882

IUPAC6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)cn3)cc2s1
InChIInChI=1S/C20H14F2N6OS/c21-17(22)19-27-26-18(29-19)12-3-1-11(2-4-12)8-28-9-15(24-10-28)13-5-6-14-16(7-13)30-20(23)25-14/h1-7,9-10,17H,8H2,(H2,23,25)
InChIKeyWIRJOXJYRYWEEC-UHFFFAOYSA-N
MW424.44 g/mol
LogP4.78
Rot. Bonds5

About 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1,3-benzothiazol-2-amine

6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1,3-benzothiazol-2-amine (PubChem CID 162721882) has the molecular formula C20H14F2N6OS and a molecular weight of 424.44 g/mol. Its IUPAC name is 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1,3-benzothiazol-2-amine
PubChem CID162721882
Molecular FormulaC20H14F2N6OS
Molecular Weight424.44 g/mol
Exact Mass424.09
IUPAC Name6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)cn3)cc2s1
InChIInChI=1S/C20H14F2N6OS/c21-17(22)19-27-26-18(29-19)12-3-1-11(2-4-12)8-28-9-15(24-10-28)13-5-6-14-16(7-13)30-20(23)25-14/h1-7,9-10,17H,8H2,(H2,23,25)
InChIKeyWIRJOXJYRYWEEC-UHFFFAOYSA-N
XLogP4.78
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine
CID 162721941
6-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]triazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 162721961
6-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-benzothiazol-2-amine
CID 162722044
6-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]triazol-4-yl]-1,3-benzothiazol-2-amine
CID 162722047
6-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]triazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 162722086
6-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 162722184
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-benzothiazol-2-amine
CID 162722221
6-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]-1,3-benzothiazol-2-amine
CID 162722222
6-[1-[[2-Chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1,3-benzothiazol-2-amine
CID 162722274
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine
CID 162722386
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1-methylbenzimidazol-2-amine
CID 162722414
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine
CID 162722421

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1,3-benzothiazol-2-amine (CID 162721882) is 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1,3-benzothiazol-2-amine is Nc1nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)cn3)cc2s1.
What is the InChIKey of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1,3-benzothiazol-2-amine?
The InChIKey is WIRJOXJYRYWEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N6OS/c21-17(22)19-27-26-18(29-19)12-3-1-11(2-4-12)8-28-9-15(24-10-28)13-5-6-14-16(7-13)30-20(23)25-14/h1-7,9-10,17H,8H2,(H2,23,25).
What are the key properties of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1,3-benzothiazol-2-amine?
6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1,3-benzothiazol-2-amine has a molecular weight of 424.44 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 162721882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).