2-(6-morpholin-4-yl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

C20H23F3N4O2S — CID 58428537

IUPAC2-(6-morpholin-4-yl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESO=C(Cc1ccc(N2CCOCC2)nc1)c1sc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C20H23F3N4O2S/c21-20(22,23)18-17(30-19(25-18)27-6-2-1-3-7-27)15(28)12-14-4-5-16(24-13-14)26-8-10-29-11-9-26/h4-5,13H,1-3,6-12H2
InChIKeyVSPUFOFNDHROLY-UHFFFAOYSA-N
MW440.49 g/mol
LogP3.81
Rot. Bonds5

About 2-(6-morpholin-4-yl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

2-(6-morpholin-4-yl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 58428537) has the molecular formula C20H23F3N4O2S and a molecular weight of 440.49 g/mol. Its IUPAC name is 2-(6-morpholin-4-yl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(6-morpholin-4-yl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID58428537
Molecular FormulaC20H23F3N4O2S
Molecular Weight440.49 g/mol
Exact Mass440.15
IUPAC Name2-(6-morpholin-4-yl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESO=C(Cc1ccc(N2CCOCC2)nc1)c1sc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C20H23F3N4O2S/c21-20(22,23)18-17(30-19(25-18)27-6-2-1-3-7-27)15(28)12-14-4-5-16(24-13-14)26-8-10-29-11-9-26/h4-5,13H,1-3,6-12H2
InChIKeyVSPUFOFNDHROLY-UHFFFAOYSA-N
XLogP3.81
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-Amino-1-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]propan-1-one
CID 70683114
5-{2-[(4-Morpholin-4-ylpyridin-2-yl)amino]-1,3-thiazol-5-yl}nicotinamide
CID 15979630
5-{2-[(4-morpholin-4-ylpyridin-2-yl)amino]-1,3-thiazol-5-yl}-N-(2,2,2-trifluoroethyl)nicotinamide
CID 15980107
N-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 162651958
N-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 162676355
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 29482112
N-(4-methyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 36297744
[4-(4-Fluorophenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-phenylmethanone
CID 145989926
N-[5-(morpholin-4-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 162648535
N-[5-(morpholin-4-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 162654514
[4-[4-(Morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 53200891
[4-Amino-2-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
CID 10053633

Frequently Asked Questions

What is the IUPAC name of 2-(6-morpholin-4-yl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2-(6-morpholin-4-yl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (CID 58428537) is 2-(6-morpholin-4-yl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-(6-morpholin-4-yl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2-(6-morpholin-4-yl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is O=C(Cc1ccc(N2CCOCC2)nc1)c1sc(N2CCCCC2)nc1C(F)(F)F.
What is the InChIKey of 2-(6-morpholin-4-yl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is VSPUFOFNDHROLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2S/c21-20(22,23)18-17(30-19(25-18)27-6-2-1-3-7-27)15(28)12-14-4-5-16(24-13-14)26-8-10-29-11-9-26/h4-5,13H,1-3,6-12H2.
What are the key properties of 2-(6-morpholin-4-yl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
2-(6-morpholin-4-yl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 440.49 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-morpholin-4-yl-3-pyridinyl)-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 58428537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).