N-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine

C16H10F4N4OS — CID 141303041

IUPACN-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
SMILESCn1c(Nc2nc3ccc(OC(F)(F)F)cc3s2)nc2ccc(F)cc21
InChIInChI=1S/C16H10F4N4OS/c1-24-12-6-8(17)2-4-10(12)21-14(24)23-15-22-11-5-3-9(7-13(11)26-15)25-16(18,19)20/h2-7H,1H3,(H,21,22,23)
InChIKeyNFNLFJQYQGTFRU-UHFFFAOYSA-N
MW382.34 g/mol
LogP4.96
Rot. Bonds3

About N-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine

N-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine (PubChem CID 141303041) has the molecular formula C16H10F4N4OS and a molecular weight of 382.34 g/mol. Its IUPAC name is N-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
PubChem CID141303041
Molecular FormulaC16H10F4N4OS
Molecular Weight382.34 g/mol
Exact Mass382.05
IUPAC NameN-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
SMILESCn1c(Nc2nc3ccc(OC(F)(F)F)cc3s2)nc2ccc(F)cc21
InChIInChI=1S/C16H10F4N4OS/c1-24-12-6-8(17)2-4-10(12)21-14(24)23-15-22-11-5-3-9(7-13(11)26-15)25-16(18,19)20/h2-7H,1H3,(H,21,22,23)
InChIKeyNFNLFJQYQGTFRU-UHFFFAOYSA-N
XLogP4.96
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]propan-1-one
CID 58397695
N-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 130297051
methyl 1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate
CID 58397510
1-[6-fluoro-1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]butan-1-one
CID 58397807
1-[1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]propan-1-one
CID 58397699
6-methoxy-1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid;N-methylmethanamine
CID 160727673
3-(methylamino)-4-nitrobenzonitrile;3-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carbonitrile
CID 159929433
N-[(2R)-2-hydroxypropyl]-1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide
CID 86656782
5-hydroxy-1-[1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one
CID 58397711
(2S)-2-[[1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carbonyl]amino]propanoic acid
CID 58397518
3-[4-(hydroxymethyl)cyclohexyl]-1-[1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]propan-1-one
CID 58397493
N-[2-[(2-hydroxyacetyl)amino]ethyl]-1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide
CID 87360305

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine (CID 141303041) is N-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine is Cn1c(Nc2nc3ccc(OC(F)(F)F)cc3s2)nc2ccc(F)cc21.
What is the InChIKey of N-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The InChIKey is NFNLFJQYQGTFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N4OS/c1-24-12-6-8(17)2-4-10(12)21-14(24)23-15-22-11-5-3-9(7-13(11)26-15)25-16(18,19)20/h2-7H,1H3,(H,21,22,23).
What are the key properties of N-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
N-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine has a molecular weight of 382.34 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 141303041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).