N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide

C22H20F3N3O2S — CID 90408803

IUPACN-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N2CCOCC2)s1
InChIInChI=1S/C22H20F3N3O2S/c1-14-5-6-17(27-20(29)15-3-2-4-16(11-15)22(23,24)25)12-18(14)19-13-26-21(31-19)28-7-9-30-10-8-28/h2-6,11-13H,7-10H2,1H3,(H,27,29)
InChIKeyXEYZNMHSYXXOIB-UHFFFAOYSA-N
MW447.48 g/mol
LogP5.23
Rot. Bonds4

About N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 90408803) has the molecular formula C22H20F3N3O2S and a molecular weight of 447.48 g/mol. Its IUPAC name is N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID90408803
Molecular FormulaC22H20F3N3O2S
Molecular Weight447.48 g/mol
Exact Mass447.12
IUPAC NameN-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N2CCOCC2)s1
InChIInChI=1S/C22H20F3N3O2S/c1-14-5-6-17(27-20(29)15-3-2-4-16(11-15)22(23,24)25)12-18(14)19-13-26-21(31-19)28-7-9-30-10-8-28/h2-6,11-13H,7-10H2,1H3,(H,27,29)
InChIKeyXEYZNMHSYXXOIB-UHFFFAOYSA-N
XLogP5.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 90408803) is N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N2CCOCC2)s1.
What is the InChIKey of N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is XEYZNMHSYXXOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2S/c1-14-5-6-17(27-20(29)15-3-2-4-16(11-15)22(23,24)25)12-18(14)19-13-26-21(31-19)28-7-9-30-10-8-28/h2-6,11-13H,7-10H2,1H3,(H,27,29).
What are the key properties of N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 447.48 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90408803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).