N-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine

C17H13F3N4S — CID 134445468

IUPACN-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2c(c1)nc(Nc1nc3ccc(C(F)(F)F)cc3s1)n2C
InChIInChI=1S/C17H13F3N4S/c1-9-3-6-13-12(7-9)21-15(24(13)2)23-16-22-11-5-4-10(17(18,19)20)8-14(11)25-16/h3-8H,1-2H3,(H,21,22,23)
InChIKeyJBWOVMZRVKYUDE-UHFFFAOYSA-N
MW362.38 g/mol
LogP5.25
Rot. Bonds2

About N-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine

N-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine (PubChem CID 134445468) has the molecular formula C17H13F3N4S and a molecular weight of 362.38 g/mol. Its IUPAC name is N-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
PubChem CID134445468
Molecular FormulaC17H13F3N4S
Molecular Weight362.38 g/mol
Exact Mass362.08
IUPAC NameN-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2c(c1)nc(Nc1nc3ccc(C(F)(F)F)cc3s1)n2C
InChIInChI=1S/C17H13F3N4S/c1-9-3-6-13-12(7-9)21-15(24(13)2)23-16-22-11-5-4-10(17(18,19)20)8-14(11)25-16/h3-8H,1-2H3,(H,21,22,23)
InChIKeyJBWOVMZRVKYUDE-UHFFFAOYSA-N
XLogP5.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.38
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine (CID 134445468) is N-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine is Cc1ccc2c(c1)nc(Nc1nc3ccc(C(F)(F)F)cc3s1)n2C.
What is the InChIKey of N-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The InChIKey is JBWOVMZRVKYUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4S/c1-9-3-6-13-12(7-9)21-15(24(13)2)23-16-22-11-5-4-10(17(18,19)20)8-14(11)25-16/h3-8H,1-2H3,(H,21,22,23).
What are the key properties of N-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine?
N-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine has a molecular weight of 362.38 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylbenzimidazol-2-yl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 134445468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).