4-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one

C25H28N2O5S — CID 20942980

IUPAC4-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one
SMILESCC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N(Cc2ccc(C(=O)N3CCOCC3)cc2)C1=O
InChIInChI=1S/C25H28N2O5S/c1-17(2)20-8-10-21(11-9-20)23-18(3)24(28)27(33(23,30)31)16-19-4-6-22(7-5-19)25(29)26-12-14-32-15-13-26/h4-11,17H,12-16H2,1-3H3
InChIKeyKAHAZQPXSCNTAT-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.39
Rot. Bonds5

About 4-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one

4-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one (PubChem CID 20942980) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one.

Molecular Properties

Compound Name4-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one
PubChem CID20942980
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name4-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one
SMILESCC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N(Cc2ccc(C(=O)N3CCOCC3)cc2)C1=O
InChIInChI=1S/C25H28N2O5S/c1-17(2)20-8-10-21(11-9-20)23-18(3)24(28)27(33(23,30)31)16-19-4-6-22(7-5-19)25(29)26-12-14-32-15-13-26/h4-11,17H,12-16H2,1-3H3
InChIKeyKAHAZQPXSCNTAT-UHFFFAOYSA-N
XLogP3.39
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
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CID 50790879
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
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CID 110674004
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278764
2-amino-2-(4-methylphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 120667122
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
CID 51935416

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one?
The IUPAC name of 4-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one (CID 20942980) is 4-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one.
What is the SMILES notation for 4-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one?
The canonical SMILES for 4-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one is CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N(Cc2ccc(C(=O)N3CCOCC3)cc2)C1=O.
What is the InChIKey of 4-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one?
The InChIKey is KAHAZQPXSCNTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-17(2)20-8-10-21(11-9-20)23-18(3)24(28)27(33(23,30)31)16-19-4-6-22(7-5-19)25(29)26-12-14-32-15-13-26/h4-11,17H,12-16H2,1-3H3.
What are the key properties of 4-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one?
4-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one has a molecular weight of 468.58 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one is sourced from PubChem (CID 20942980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).