5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-methyl-1,3-thiazolidin-4-one

C19H29NO2S — CID 15229915

IUPAC5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-methyl-1,3-thiazolidin-4-one
SMILESCN1CSC(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O
InChIInChI=1S/C19H29NO2S/c1-18(2,3)13-8-12(9-14(16(13)21)19(4,5)6)10-15-17(22)20(7)11-23-15/h8-9,15,21H,10-11H2,1-7H3
InChIKeyFBJMAPPCXZBNEX-UHFFFAOYSA-N
MW335.51 g/mol
LogP4.06
Rot. Bonds2

About 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-methyl-1,3-thiazolidin-4-one

5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-methyl-1,3-thiazolidin-4-one (PubChem CID 15229915) has the molecular formula C19H29NO2S and a molecular weight of 335.51 g/mol. Its IUPAC name is 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-methyl-1,3-thiazolidin-4-one
PubChem CID15229915
Molecular FormulaC19H29NO2S
Molecular Weight335.51 g/mol
Exact Mass335.19
IUPAC Name5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-methyl-1,3-thiazolidin-4-one
SMILESCN1CSC(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O
InChIInChI=1S/C19H29NO2S/c1-18(2,3)13-8-12(9-14(16(13)21)19(4,5)6)10-15-17(22)20(7)11-23-15/h8-9,15,21H,10-11H2,1-7H3
InChIKeyFBJMAPPCXZBNEX-UHFFFAOYSA-N
XLogP4.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-(1-phenylethyl)-1,3-thiazolidin-4-one
CID 19419863
(3R,8aS)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 10474447
1,3,5-tris[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]ethyl]-1,3,5-triazinane-2,4,6-trione
CID 87482865
2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 4018828
N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
CID 741717
5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 23526118
1-(3,5-ditert-butyl-4-hydroxyphenyl)propan-2-one
CID 20708554
bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl] propanedioate
CID 54266161
2,6-ditert-butyl-4-[(4-methylpiperazin-1-yl)methyl]phenol
CID 751703
(2,3,4,5,6-pentahydroxycyclohexyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 155475940
3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl 2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2-oxoethyl]sulfanylacetate
CID 3909668
(3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid
CID 159405265

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-methyl-1,3-thiazolidin-4-one (CID 15229915) is 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-methyl-1,3-thiazolidin-4-one is CN1CSC(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O.
What is the InChIKey of 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is FBJMAPPCXZBNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2S/c1-18(2,3)13-8-12(9-14(16(13)21)19(4,5)6)10-15-17(22)20(7)11-23-15/h8-9,15,21H,10-11H2,1-7H3.
What are the key properties of 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-methyl-1,3-thiazolidin-4-one?
5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 335.51 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 15229915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).