ethyl 2-[5-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate

C16H16F3N3O3S — CID 175034961

IUPACethyl 2-[5-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2cnc(C(F)(F)F)c(N3CCOCC3)c2)n1
InChIInChI=1S/C16H16F3N3O3S/c1-2-25-15(23)11-9-26-14(21-11)10-7-12(22-3-5-24-6-4-22)13(20-8-10)16(17,18)19/h7-9H,2-6H2,1H3
InChIKeyQFZTWFFKVMUNRT-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.24
Rot. Bonds4

About ethyl 2-[5-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate

ethyl 2-[5-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate (PubChem CID 175034961) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is ethyl 2-[5-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[5-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
PubChem CID175034961
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC Nameethyl 2-[5-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2cnc(C(F)(F)F)c(N3CCOCC3)c2)n1
InChIInChI=1S/C16H16F3N3O3S/c1-2-25-15(23)11-9-26-14(21-11)10-7-12(22-3-5-24-6-4-22)13(20-8-10)16(17,18)19/h7-9H,2-6H2,1H3
InChIKeyQFZTWFFKVMUNRT-UHFFFAOYSA-N
XLogP3.24
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[5-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 55393024
ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 104822748
ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate
CID 126483070
ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
CID 114194649
ethyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 137146915
ethyl 2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 115422462
2-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 117087877
ethyl 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazole-4-carboxylate
CID 115422134
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1,3-thiazole-4-carboxylate
CID 170970267
methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
CID 166448386
ethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136938657
2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylic acid;ethyl 2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylate
CID 160576050

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[5-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate (CID 175034961) is ethyl 2-[5-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[5-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[5-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2cnc(C(F)(F)F)c(N3CCOCC3)c2)n1.
What is the InChIKey of ethyl 2-[5-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate?
The InChIKey is QFZTWFFKVMUNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-2-25-15(23)11-9-26-14(21-11)10-7-12(22-3-5-24-6-4-22)13(20-8-10)16(17,18)19/h7-9H,2-6H2,1H3.
What are the key properties of ethyl 2-[5-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[5-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate has a molecular weight of 387.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 175034961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).