1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine

C13H11F3N4S — CID 63239906

IUPAC1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)nc(C(F)(F)F)n2CCc1nccs1
InChIInChI=1S/C13H11F3N4S/c14-13(15,16)12-19-9-7-8(17)1-2-10(9)20(12)5-3-11-18-4-6-21-11/h1-2,4,6-7H,3,5,17H2
InChIKeyMCJXNRZCPCTKIO-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.34
Rot. Bonds3

About 1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine

1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine (PubChem CID 63239906) has the molecular formula C13H11F3N4S and a molecular weight of 312.32 g/mol. Its IUPAC name is 1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine
PubChem CID63239906
Molecular FormulaC13H11F3N4S
Molecular Weight312.32 g/mol
Exact Mass312.07
IUPAC Name1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)nc(C(F)(F)F)n2CCc1nccs1
InChIInChI=1S/C13H11F3N4S/c14-13(15,16)12-19-9-7-8(17)1-2-10(9)20(12)5-3-11-18-4-6-21-11/h1-2,4,6-7H,3,5,17H2
InChIKeyMCJXNRZCPCTKIO-UHFFFAOYSA-N
XLogP3.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 114267054
5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 63240191
1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine
CID 55079980
2-(trifluoromethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine
CID 106432377
4-[5-amino-2-(trifluoromethyl)benzimidazol-1-yl]butan-2-ol
CID 64912559
1-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 63824827
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine
CID 62640262
2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine
CID 55079804
5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 103592941
5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 66088253
1-(thiolan-3-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 107298298
2-[2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-1,3-thiazole
CID 63240277

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine?
The IUPAC name of 1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine (CID 63239906) is 1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine.
What is the SMILES notation for 1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine?
The canonical SMILES for 1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine is Nc1ccc2c(c1)nc(C(F)(F)F)n2CCc1nccs1.
What is the InChIKey of 1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine?
The InChIKey is MCJXNRZCPCTKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4S/c14-13(15,16)12-19-9-7-8(17)1-2-10(9)20(12)5-3-11-18-4-6-21-11/h1-2,4,6-7H,3,5,17H2.
What are the key properties of 1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine?
1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine has a molecular weight of 312.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine is sourced from PubChem (CID 63239906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).