N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide

C17H13F3N2O2S — CID 57207970

IUPACN-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1nc2ccc(O)cc2s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)11-3-1-2-10(8-11)16(24)21-7-6-15-22-13-5-4-12(23)9-14(13)25-15/h1-5,8-9,23H,6-7H2,(H,21,24)
InChIKeyKZISYJLYIYJNJT-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.99
Rot. Bonds4

About N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide

N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 57207970) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID57207970
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC NameN-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1nc2ccc(O)cc2s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)11-3-1-2-10(8-11)16(24)21-7-6-15-22-13-5-4-12(23)9-14(13)25-15/h1-5,8-9,23H,6-7H2,(H,21,24)
InChIKeyKZISYJLYIYJNJT-UHFFFAOYSA-N
XLogP3.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 57243108
3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 57009467
N-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide
CID 30152590
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbenzamide
CID 51207900
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 78810551
N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide
CID 172890631
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-tert-butylbenzamide
CID 46823819
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide
CID 57307039
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 78796629
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 44896463

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide (CID 57207970) is N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide is O=C(NCCc1nc2ccc(O)cc2s1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is KZISYJLYIYJNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c18-17(19,20)11-3-1-2-10(8-11)16(24)21-7-6-15-22-13-5-4-12(23)9-14(13)25-15/h1-5,8-9,23H,6-7H2,(H,21,24).
What are the key properties of N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 366.36 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 57207970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).