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

C22H20F3N3O2S — CID 90409500

IUPACN-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1csc(N2CCOCC2)n1
InChIInChI=1S/C22H20F3N3O2S/c1-14-5-6-17(26-20(29)15-3-2-4-16(11-15)22(23,24)25)12-18(14)19-13-31-21(27-19)28-7-9-30-10-8-28/h2-6,11-13H,7-10H2,1H3,(H,26,29)
InChIKeyBNEUFTPBYFEBMT-UHFFFAOYSA-N
MW447.48 g/mol
LogP5.23
Rot. Bonds4

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

N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 90409500) 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-4-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID90409500
Molecular FormulaC22H20F3N3O2S
Molecular Weight447.48 g/mol
Exact Mass447.12
IUPAC NameN-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1csc(N2CCOCC2)n1
InChIInChI=1S/C22H20F3N3O2S/c1-14-5-6-17(26-20(29)15-3-2-4-16(11-15)22(23,24)25)12-18(14)19-13-31-21(27-19)28-7-9-30-10-8-28/h2-6,11-13H,7-10H2,1H3,(H,26,29)
InChIKeyBNEUFTPBYFEBMT-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

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

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Related Compounds

Aminothiazole, 7
CID 22496459
Aminothiazole, 11
CID 22496477
Aminothiazole, 13
CID 22496546
Aminothiazole, 12
CID 22496557
4'-(2-Amino-4-thiazolyl)-6-methyl-N-[3-(4-morpholinyl)phenyl][1,1'-biphenyl]-3-carboxamide
CID 9956363
N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)-4-(6-((2-methoxyethyl)(methyl)amino)pyrimidin-4-ylamino)benzamide
CID 11642429
N-[3-[2-[3-(trifluoromethyl)anilino]-4-thiazolyl]phenyl]benzamide
CID 16745788
N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 90408803
N-[4-methyl-3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 90442620
3-(difluoromethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)phenyl]benzamide
CID 90456419
N-[4-methyl-3-(4-morpholin-4-yl-5,5-dioxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 90456897
N-Methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-YL]-1,3-thiazol-2-amine
CID 1450301

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 90409500) is N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1csc(N2CCOCC2)n1.
What is the InChIKey of N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is BNEUFTPBYFEBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2S/c1-14-5-6-17(26-20(29)15-3-2-4-16(11-15)22(23,24)25)12-18(14)19-13-31-21(27-19)28-7-9-30-10-8-28/h2-6,11-13H,7-10H2,1H3,(H,26,29).
What are the key properties of N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-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-4-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90409500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).