3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one

C19H21FN4O3S — CID 154568818

IUPAC3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
SMILESCc1nc(N2CCOCC2)sc1C(=O)N1CCNC(=O)C1c1cccc(F)c1
InChIInChI=1S/C19H21FN4O3S/c1-12-16(28-19(22-12)23-7-9-27-10-8-23)18(26)24-6-5-21-17(25)15(24)13-3-2-4-14(20)11-13/h2-4,11,15H,5-10H2,1H3,(H,21,25)
InChIKeyVKOXRRWQXOEOSC-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.74
Rot. Bonds3

About 3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one

3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one (PubChem CID 154568818) has the molecular formula C19H21FN4O3S and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
PubChem CID154568818
Molecular FormulaC19H21FN4O3S
Molecular Weight404.47 g/mol
Exact Mass404.13
IUPAC Name3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
SMILESCc1nc(N2CCOCC2)sc1C(=O)N1CCNC(=O)C1c1cccc(F)c1
InChIInChI=1S/C19H21FN4O3S/c1-12-16(28-19(22-12)23-7-9-27-10-8-23)18(26)24-6-5-21-17(25)15(24)13-3-2-4-14(20)11-13/h2-4,11,15H,5-10H2,1H3,(H,21,25)
InChIKeyVKOXRRWQXOEOSC-UHFFFAOYSA-N
XLogP1.74
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one (CID 154568818) is 3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one is Cc1nc(N2CCOCC2)sc1C(=O)N1CCNC(=O)C1c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one?
The InChIKey is VKOXRRWQXOEOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3S/c1-12-16(28-19(22-12)23-7-9-27-10-8-23)18(26)24-6-5-21-17(25)15(24)13-3-2-4-14(20)11-13/h2-4,11,15H,5-10H2,1H3,(H,21,25).
What are the key properties of 3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one?
3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one has a molecular weight of 404.47 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 154568818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).