[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone

C18H21FN4O2S — CID 654461

IUPAC[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C18H21FN4O2S/c19-15-3-1-14(2-4-15)16-13-26-17(20-16)21-5-7-22(8-6-21)18(24)23-9-11-25-12-10-23/h1-4,13H,5-12H2
InChIKeyYJWOFMJOTIIHPS-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.52
Rot. Bonds2

About [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone

[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 654461) has the molecular formula C18H21FN4O2S and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID654461
Molecular FormulaC18H21FN4O2S
Molecular Weight376.46 g/mol
Exact Mass376.14
IUPAC Name[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C18H21FN4O2S/c19-15-3-1-14(2-4-15)16-13-26-17(20-16)21-5-7-22(8-6-21)18(24)23-9-11-25-12-10-23/h1-4,13H,5-12H2
InChIKeyYJWOFMJOTIIHPS-UHFFFAOYSA-N
XLogP2.52
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]morpholine
CID 683402
4-(4-Phenyl-1,3-thiazol-2-yl)morpholine
CID 727584
2-Morpholino-N-(4-phenylthiazol-2-yl)acetamide
CID 783107
4-(4-Phenyl-thiazol-2-yl)-piperazine-1-carboxylic acid dimethylamide
CID 778223
2-Morpholino-N-(4-(p-tolyl)thiazol-2-yl)acetamide
CID 2336901
Ethyl 4-(4-(4-chlorophenyl)thiazol-2-yl)piperazine-1-carboxylate
CID 1269494
N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-1,3-thiazol-2-amine
CID 1111827
4-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-piperazine-1-carbothioic acid (3-ethoxy-propyl)-amide
CID 3223618
1-(3,3-Diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 11955209
4-[4-(2,5-Dimethylphenyl)-1,3-thiazol-2-yl]morpholine
CID 23847279
4-{4-[3-(Trifluoromethyl)phenyl]-1,3-thiazol-2-yl}morpholine
CID 60471678
Morpholin-4-yl-[4-(4-phenyl-thiazol-2-yl)-piperazin-1-yl]-methanone
CID 649570

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone (CID 654461) is [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is YJWOFMJOTIIHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2S/c19-15-3-1-14(2-4-15)16-13-26-17(20-16)21-5-7-22(8-6-21)18(24)23-9-11-25-12-10-23/h1-4,13H,5-12H2.
What are the key properties of [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone?
[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 376.46 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 654461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).