N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide

C17H13F3N2O2S — CID 56765445

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)c1nc2ccccc2s1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)11-7-5-10(6-8-11)13(23)9-21-15(24)16-22-12-3-1-2-4-14(12)25-16/h1-8,13,23H,9H2,(H,21,24)
InChIKeyRSSZOEISXJEMHO-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.78
Rot. Bonds4

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 56765445) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide
PubChem CID56765445
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)c1nc2ccccc2s1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)11-7-5-10(6-8-11)13(23)9-21-15(24)16-22-12-3-1-2-4-14(12)25-16/h1-8,13,23H,9H2,(H,21,24)
InChIKeyRSSZOEISXJEMHO-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide (CID 56765445) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide is O=C(NCC(O)c1ccc(C(F)(F)F)cc1)c1nc2ccccc2s1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is RSSZOEISXJEMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c18-17(19,20)11-7-5-10(6-8-11)13(23)9-21-15(24)16-22-12-3-1-2-4-14(12)25-16/h1-8,13,23H,9H2,(H,21,24).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 366.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 56765445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).