N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide

C23H17F3N2O3S — CID 67311851

IUPACN-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
SMILESCOc1ccc2nc(-c3ccc(NC(=O)c4ccc(OCC(F)(F)F)cc4)cc3)sc2c1
InChIInChI=1S/C23H17F3N2O3S/c1-30-18-10-11-19-20(12-18)32-22(28-19)15-2-6-16(7-3-15)27-21(29)14-4-8-17(9-5-14)31-13-23(24,25)26/h2-12H,13H2,1H3,(H,27,29)
InChIKeyBGMALHHMBVBEOR-UHFFFAOYSA-N
MW458.46 g/mol
LogP6.17
Rot. Bonds6

About N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide

N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 67311851) has the molecular formula C23H17F3N2O3S and a molecular weight of 458.46 g/mol. Its IUPAC name is N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
PubChem CID67311851
Molecular FormulaC23H17F3N2O3S
Molecular Weight458.46 g/mol
Exact Mass458.09
IUPAC NameN-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
SMILESCOc1ccc2nc(-c3ccc(NC(=O)c4ccc(OCC(F)(F)F)cc4)cc3)sc2c1
InChIInChI=1S/C23H17F3N2O3S/c1-30-18-10-11-19-20(12-18)32-22(28-19)15-2-6-16(7-3-15)27-21(29)14-4-8-17(9-5-14)31-13-23(24,25)26/h2-12H,13H2,1H3,(H,27,29)
InChIKeyBGMALHHMBVBEOR-UHFFFAOYSA-N
XLogP6.17
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.46
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 46845966
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-3,4-dinitrobenzamide
CID 87322286
4-hydroxy-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide
CID 67313299
3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1102694
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide
CID 1050063
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide
CID 2328696
2,2,2-trifluoro-N-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]acetamide
CID 88927311
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide
CID 57393591
N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-benzothiazole-6-carboxamide
CID 17481716
N-[3-(6-methoxy-1,3-benzothiazol-2-yl)-7-bicyclo[4.1.0]hepta-1(6),2,4-trienyl]-4-(3,3,3-trifluoropropoxy)benzamide
CID 162558930
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide (CID 67311851) is N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide is COc1ccc2nc(-c3ccc(NC(=O)c4ccc(OCC(F)(F)F)cc4)cc3)sc2c1.
What is the InChIKey of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is BGMALHHMBVBEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O3S/c1-30-18-10-11-19-20(12-18)32-22(28-19)15-2-6-16(7-3-15)27-21(29)14-4-8-17(9-5-14)31-13-23(24,25)26/h2-12H,13H2,1H3,(H,27,29).
What are the key properties of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide?
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 458.46 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 67311851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).