1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol

C16H12F3N5O2S — CID 134833260

IUPAC1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol
SMILESCc1noc(N)c1C(O)(c1nc(-c2nc3ccccc3[nH]2)cs1)C(F)(F)F
InChIInChI=1S/C16H12F3N5O2S/c1-7-11(12(20)26-24-7)15(25,16(17,18)19)14-23-10(6-27-14)13-21-8-4-2-3-5-9(8)22-13/h2-6,25H,20H2,1H3,(H,21,22)
InChIKeyDMJHPQCHJQPLLL-UHFFFAOYSA-N
MW395.37 g/mol
LogP3.36
Rot. Bonds3

About 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol

1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol (PubChem CID 134833260) has the molecular formula C16H12F3N5O2S and a molecular weight of 395.37 g/mol. Its IUPAC name is 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol
PubChem CID134833260
Molecular FormulaC16H12F3N5O2S
Molecular Weight395.37 g/mol
Exact Mass395.07
IUPAC Name1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol
SMILESCc1noc(N)c1C(O)(c1nc(-c2nc3ccccc3[nH]2)cs1)C(F)(F)F
InChIInChI=1S/C16H12F3N5O2S/c1-7-11(12(20)26-24-7)15(25,16(17,18)19)14-23-10(6-27-14)13-21-8-4-2-3-5-9(8)22-13/h2-6,25H,20H2,1H3,(H,21,22)
InChIKeyDMJHPQCHJQPLLL-UHFFFAOYSA-N
XLogP3.36
TPSA113.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol with MolForge

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Related Compounds

1-(5-amino-1,3-dimethylpyrazol-4-yl)-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
CID 101497115
4-(1H-benzimidazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole
CID 141368913
4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine
CID 14668556
4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole
CID 123159437
3-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole
CID 135538073
5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole
CID 135995577
tert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate
CID 142043040
2-(1-methylimidazol-4-yl)-1H-benzimidazole
CID 45078360
N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 157020411
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine
CID 159111206
1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
CID 101497117

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol (CID 134833260) is 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol is Cc1noc(N)c1C(O)(c1nc(-c2nc3ccccc3[nH]2)cs1)C(F)(F)F.
What is the InChIKey of 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol?
The InChIKey is DMJHPQCHJQPLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2S/c1-7-11(12(20)26-24-7)15(25,16(17,18)19)14-23-10(6-27-14)13-21-8-4-2-3-5-9(8)22-13/h2-6,25H,20H2,1H3,(H,21,22).
What are the key properties of 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol?
1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol has a molecular weight of 395.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 134833260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).