[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone

C18H21F3N4O2S2 — CID 53158746

IUPAC[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)s1)N1CCN(c2nc(CN3CCOCC3)cs2)CC1
InChIInChI=1S/C18H21F3N4O2S2/c19-18(20,21)15-2-1-14(29-15)16(26)24-3-5-25(6-4-24)17-22-13(12-28-17)11-23-7-9-27-10-8-23/h1-2,12H,3-11H2
InChIKeyYWCKYPPNUBTTDZ-UHFFFAOYSA-N
MW446.52 g/mol
LogP3.02
Rot. Bonds4

About [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone

[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone (PubChem CID 53158746) has the molecular formula C18H21F3N4O2S2 and a molecular weight of 446.52 g/mol. Its IUPAC name is [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
PubChem CID53158746
Molecular FormulaC18H21F3N4O2S2
Molecular Weight446.52 g/mol
Exact Mass446.11
IUPAC Name[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)s1)N1CCN(c2nc(CN3CCOCC3)cs2)CC1
InChIInChI=1S/C18H21F3N4O2S2/c19-18(20,21)15-2-1-14(29-15)16(26)24-3-5-25(6-4-24)17-22-13(12-28-17)11-23-7-9-27-10-8-23/h1-2,12H,3-11H2
InChIKeyYWCKYPPNUBTTDZ-UHFFFAOYSA-N
XLogP3.02
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2,6-difluorophenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158646
furan-2-yl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158649
(3-fluoro-4-methylphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158644
cyclobutyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158631
2-(4-methoxyphenoxy)-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158764
2,2,2-trifluoro-1-[5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone
CID 87353086
[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone
CID 53158599
(4-ethoxyphenyl)-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158699
5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 91768510
2-(2-fluorophenyl)-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158552
(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

Frequently Asked Questions

What is the IUPAC name of [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone?
The IUPAC name of [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone (CID 53158746) is [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone.
What is the SMILES notation for [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone?
The canonical SMILES for [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone is O=C(c1ccc(C(F)(F)F)s1)N1CCN(c2nc(CN3CCOCC3)cs2)CC1.
What is the InChIKey of [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone?
The InChIKey is YWCKYPPNUBTTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2S2/c19-18(20,21)15-2-1-14(29-15)16(26)24-3-5-25(6-4-24)17-22-13(12-28-17)11-23-7-9-27-10-8-23/h1-2,12H,3-11H2.
What are the key properties of [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone?
[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone has a molecular weight of 446.52 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone is sourced from PubChem (CID 53158746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).