(2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone

C19H22F2N4O2S — CID 53158646

IUPAC(2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(c2nc(CN3CCOCC3)cs2)CC1
InChIInChI=1S/C19H22F2N4O2S/c20-15-2-1-3-16(21)17(15)18(26)24-4-6-25(7-5-24)19-22-14(13-28-19)12-23-8-10-27-11-9-23/h1-3,13H,4-12H2
InChIKeyYFQMSTJPQZOLEQ-UHFFFAOYSA-N
MW408.47 g/mol
LogP2.22
Rot. Bonds4

About (2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone

(2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 53158646) has the molecular formula C19H22F2N4O2S and a molecular weight of 408.47 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
PubChem CID53158646
Molecular FormulaC19H22F2N4O2S
Molecular Weight408.47 g/mol
Exact Mass408.14
IUPAC Name(2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(c2nc(CN3CCOCC3)cs2)CC1
InChIInChI=1S/C19H22F2N4O2S/c20-15-2-1-3-16(21)17(15)18(26)24-4-6-25(7-5-24)19-22-14(13-28-19)12-23-8-10-27-11-9-23/h1-3,13H,4-12H2
InChIKeyYFQMSTJPQZOLEQ-UHFFFAOYSA-N
XLogP2.22
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-fluoro-4-methylphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158644
furan-2-yl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158649
[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
CID 53158746
cyclobutyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158631
2-(2-fluorophenyl)-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158552
2-(4-methoxyphenoxy)-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158764
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone
CID 53158599
(3-methoxyphenyl)-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158524
[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 53200889
[4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 134153245
(2,6-difluorophenyl)-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 53172823

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone (CID 53158646) is (2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone is O=C(c1c(F)cccc1F)N1CCN(c2nc(CN3CCOCC3)cs2)CC1.
What is the InChIKey of (2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is YFQMSTJPQZOLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2S/c20-15-2-1-3-16(21)17(15)18(26)24-4-6-25(7-5-24)19-22-14(13-28-19)12-23-8-10-27-11-9-23/h1-3,13H,4-12H2.
What are the key properties of (2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
(2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 408.47 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 53158646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).