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

C16H16F3N3O3S — CID 126482442

IUPACethyl 5-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)sc1N1CCOCC1
InChIInChI=1S/C16H16F3N3O3S/c1-2-25-15(23)12-14(22-5-7-24-8-6-22)26-13(21-12)10-3-4-11(20-9-10)16(17,18)19/h3-4,9H,2,5-8H2,1H3
InChIKeyOKAVYSBVDYCIGO-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.24
Rot. Bonds4

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

ethyl 5-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate (PubChem CID 126482442) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is ethyl 5-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
PubChem CID126482442
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC Nameethyl 5-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)sc1N1CCOCC1
InChIInChI=1S/C16H16F3N3O3S/c1-2-25-15(23)12-14(22-5-7-24-8-6-22)26-13(21-12)10-3-4-11(20-9-10)16(17,18)19/h3-4,9H,2,5-8H2,1H3
InChIKeyOKAVYSBVDYCIGO-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

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Related Compounds

Ethyl 4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxylate
CID 45489221
Ethyl 2-(5-fluoropyridin-2-yl)-5-morpholinothiazole-4-carboxylate
CID 126482357
[2-[2-(2-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 5-methylpyrazine-2-carboxylate
CID 2649064
Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-4-carboxylate
CID 2746007
Ethyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)thiazole-4-carboxylate
CID 2740491
Ethyl 2-[6-(Trifluoromethyl)-3-pyridyl]thiazole-4-carboxylate
CID 122476126
Ethyl 2-pyridin-2-yl-1,3-thiazole-4-carboxylate
CID 10082761
Ethyl 2-(pyridin-4-YL)thiazole-4-carboxylate
CID 595483
Ethyl 2-(difluoro(5-(trifluoromethyl)pyridin-2-yl)methyl)-1,3-thiazole-5-carboxylate
CID 132327837
Methyl 2-(6-(trifluoromethyl)pyridin-3-yl)thiazole-4-carboxylate
CID 166448386
(2-Phenyl-1,3-thiazol-4-yl)methyl 5-methylpyrazine-2-carboxylate
CID 2395270
methyl 3-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carboxylate
CID 97802964

Frequently Asked Questions

What is the IUPAC name of ethyl 5-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate (CID 126482442) is ethyl 5-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)sc1N1CCOCC1.
What is the InChIKey of ethyl 5-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate?
The InChIKey is OKAVYSBVDYCIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-2-25-15(23)12-14(22-5-7-24-8-6-22)26-13(21-12)10-3-4-11(20-9-10)16(17,18)19/h3-4,9H,2,5-8H2,1H3.
What are the key properties of ethyl 5-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate?
ethyl 5-morpholin-4-yl-2-[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 5-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 126482442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).