N-(2,6-dimethylphenyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine

C19H15F3N4S — CID 11740969

IUPACN-(2,6-dimethylphenyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine
SMILESCc1cccc(C)c1Nc1nc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cs1
InChIInChI=1S/C19H15F3N4S/c1-10-4-3-5-11(2)16(10)26-18-25-15(9-27-18)17-23-13-7-6-12(19(20,21)22)8-14(13)24-17/h3-9H,1-2H3,(H,23,24)(H,25,26)
InChIKeyQNTIVOQOSOBOCH-UHFFFAOYSA-N
MW388.42 g/mol
LogP6.07
Rot. Bonds3

About N-(2,6-dimethylphenyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine

N-(2,6-dimethylphenyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine (PubChem CID 11740969) has the molecular formula C19H15F3N4S and a molecular weight of 388.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine
PubChem CID11740969
Molecular FormulaC19H15F3N4S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC NameN-(2,6-dimethylphenyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine
SMILESCc1cccc(C)c1Nc1nc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cs1
InChIInChI=1S/C19H15F3N4S/c1-10-4-3-5-11(2)16(10)26-18-25-15(9-27-18)17-23-13-7-6-12(19(20,21)22)8-14(13)24-17/h3-9H,1-2H3,(H,23,24)(H,25,26)
InChIKeyQNTIVOQOSOBOCH-UHFFFAOYSA-N
XLogP6.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine (CID 11740969) is N-(2,6-dimethylphenyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine is Cc1cccc(C)c1Nc1nc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cs1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine?
The InChIKey is QNTIVOQOSOBOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4S/c1-10-4-3-5-11(2)16(10)26-18-25-15(9-27-18)17-23-13-7-6-12(19(20,21)22)8-14(13)24-17/h3-9H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(2,6-dimethylphenyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine?
N-(2,6-dimethylphenyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine has a molecular weight of 388.42 g/mol, XLogP of 6.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 11740969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).