methyl 5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate

C22H22F3N5O4S — CID 126626524

IUPACmethyl 5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F
InChIInChI=1S/C22H22F3N5O4S/c1-32-17-9-13(30-5-7-34-8-6-30)3-4-15(17)28-18-10-16(14(11-26-18)22(23,24)25)29-20-19(21(31)33-2)27-12-35-20/h3-4,9-12H,5-8H2,1-2H3,(H2,26,28,29)
InChIKeyPSBJMMMRSGHTMB-UHFFFAOYSA-N
MW509.51 g/mol
LogP4.68
Rot. Bonds7

About methyl 5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate

methyl 5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 126626524) has the molecular formula C22H22F3N5O4S and a molecular weight of 509.51 g/mol. Its IUPAC name is methyl 5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID126626524
Molecular FormulaC22H22F3N5O4S
Molecular Weight509.51 g/mol
Exact Mass509.13
IUPAC Namemethyl 5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F
InChIInChI=1S/C22H22F3N5O4S/c1-32-17-9-13(30-5-7-34-8-6-30)3-4-15(17)28-18-10-16(14(11-26-18)22(23,24)25)29-20-19(21(31)33-2)27-12-35-20/h3-4,9-12H,5-8H2,1-2H3,(H2,26,28,29)
InChIKeyPSBJMMMRSGHTMB-UHFFFAOYSA-N
XLogP4.68
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.51
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze methyl 5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate 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 methyl 5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate (CID 126626524) is methyl 5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F.
What is the InChIKey of methyl 5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is PSBJMMMRSGHTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O4S/c1-32-17-9-13(30-5-7-34-8-6-30)3-4-15(17)28-18-10-16(14(11-26-18)22(23,24)25)29-20-19(21(31)33-2)27-12-35-20/h3-4,9-12H,5-8H2,1-2H3,(H2,26,28,29).
What are the key properties of methyl 5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate?
methyl 5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 509.51 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 126626524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).