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

C16H11F3N4S2 — CID 121379531

IUPACN-(1-methylbenzimidazol-2-yl)-6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
SMILESCn1c(Nc2nc3ccc(SC(F)(F)F)cc3s2)nc2ccccc21
InChIInChI=1S/C16H11F3N4S2/c1-23-12-5-3-2-4-10(12)20-14(23)22-15-21-11-7-6-9(8-13(11)24-15)25-16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChIKeyGXYRPOAJJQIKKA-UHFFFAOYSA-N
MW380.42 g/mol
LogP5.54
Rot. Bonds3

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

N-(1-methylbenzimidazol-2-yl)-6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine (PubChem CID 121379531) has the molecular formula C16H11F3N4S2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(1-methylbenzimidazol-2-yl)-6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1-methylbenzimidazol-2-yl)-6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
PubChem CID121379531
Molecular FormulaC16H11F3N4S2
Molecular Weight380.42 g/mol
Exact Mass380.04
IUPAC NameN-(1-methylbenzimidazol-2-yl)-6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
SMILESCn1c(Nc2nc3ccc(SC(F)(F)F)cc3s2)nc2ccccc21
InChIInChI=1S/C16H11F3N4S2/c1-23-12-5-3-2-4-10(12)20-14(23)22-15-21-11-7-6-9(8-13(11)24-15)25-16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChIKeyGXYRPOAJJQIKKA-UHFFFAOYSA-N
XLogP5.54
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 130297051
N-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 134445468
N-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 141303041
6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
CID 2735964
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-methyl-2-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide
CID 134445451
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
(4R)-4-hydroxy-1-[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one
CID 58397527
1-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide
CID 87360012
3-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]imidazo[4,5-b]pyridine-6-carboxylic acid
CID 154998111

Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzimidazol-2-yl)-6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1-methylbenzimidazol-2-yl)-6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine (CID 121379531) is N-(1-methylbenzimidazol-2-yl)-6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1-methylbenzimidazol-2-yl)-6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1-methylbenzimidazol-2-yl)-6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine is Cn1c(Nc2nc3ccc(SC(F)(F)F)cc3s2)nc2ccccc21.
What is the InChIKey of N-(1-methylbenzimidazol-2-yl)-6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine?
The InChIKey is GXYRPOAJJQIKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4S2/c1-23-12-5-3-2-4-10(12)20-14(23)22-15-21-11-7-6-9(8-13(11)24-15)25-16(17,18)19/h2-8H,1H3,(H,20,21,22).
What are the key properties of N-(1-methylbenzimidazol-2-yl)-6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine?
N-(1-methylbenzimidazol-2-yl)-6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine has a molecular weight of 380.42 g/mol, XLogP of 5.54, 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)-6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 121379531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).