N-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine

C16H11F3N4OS — CID 130297051

IUPACN-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine
SMILESCn1c(Nc2nc3cc(OC(F)(F)F)ccc3s2)nc2ccccc21
InChIInChI=1S/C16H11F3N4OS/c1-23-12-5-3-2-4-10(12)20-14(23)22-15-21-11-8-9(24-16(17,18)19)6-7-13(11)25-15/h2-8H,1H3,(H,20,21,22)
InChIKeyMSLBCXMBMUOLOR-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.83
Rot. Bonds3

About N-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine

N-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine (PubChem CID 130297051) has the molecular formula C16H11F3N4OS and a molecular weight of 364.35 g/mol. Its IUPAC name is N-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine
PubChem CID130297051
Molecular FormulaC16H11F3N4OS
Molecular Weight364.35 g/mol
Exact Mass364.06
IUPAC NameN-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine
SMILESCn1c(Nc2nc3cc(OC(F)(F)F)ccc3s2)nc2ccccc21
InChIInChI=1S/C16H11F3N4OS/c1-23-12-5-3-2-4-10(12)20-14(23)22-15-21-11-8-9(24-16(17,18)19)6-7-13(11)25-15/h2-8H,1H3,(H,20,21,22)
InChIKeyMSLBCXMBMUOLOR-UHFFFAOYSA-N
XLogP4.83
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 141303041
N-(1-methylbenzimidazol-2-yl)-6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
CID 121379531
methyl 1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate
CID 58397510
1-[3-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]propan-1-one
CID 58397695
1-[1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]propan-1-one
CID 58397699
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
1-methyl-2-[[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid
CID 155083643
6-methoxy-1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid;N-methylmethanamine
CID 160727673
N-[2-[(2-hydroxyacetyl)amino]ethyl]-1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide
CID 87360305
2-(methylamino)propanamide;1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid
CID 118913893

Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine (CID 130297051) is N-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine is Cn1c(Nc2nc3cc(OC(F)(F)F)ccc3s2)nc2ccccc21.
What is the InChIKey of N-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
The InChIKey is MSLBCXMBMUOLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4OS/c1-23-12-5-3-2-4-10(12)20-14(23)22-15-21-11-8-9(24-16(17,18)19)6-7-13(11)25-15/h2-8H,1H3,(H,20,21,22).
What are the key properties of N-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine?
N-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine has a molecular weight of 364.35 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 130297051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).