4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-4-oxo-7-propyl-3H-chromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

C24H25NO6S — CID 54108007

IUPAC4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-4-oxo-7-propyl-3H-chromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESCCCc1cc2c(cc1O)C(=O)CC(C)(COc1ccc(Cc3sc(=O)[nH]c3O)cc1)O2
InChIInChI=1S/C24H25NO6S/c1-3-4-15-10-20-17(11-18(15)26)19(27)12-24(2,31-20)13-30-16-7-5-14(6-8-16)9-21-22(28)25-23(29)32-21/h5-8,10-11,26,28H,3-4,9,12-13H2,1-2H3,(H,25,29)
InChIKeyNFCWDVPVIIALSM-UHFFFAOYSA-N
MW455.53 g/mol
LogP4.19
Rot. Bonds7

About 4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-4-oxo-7-propyl-3H-chromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-4-oxo-7-propyl-3H-chromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one (PubChem CID 54108007) has the molecular formula C24H25NO6S and a molecular weight of 455.53 g/mol. Its IUPAC name is 4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-4-oxo-7-propyl-3H-chromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-4-oxo-7-propyl-3H-chromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
PubChem CID54108007
Molecular FormulaC24H25NO6S
Molecular Weight455.53 g/mol
Exact Mass455.14
IUPAC Name4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-4-oxo-7-propyl-3H-chromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESCCCc1cc2c(cc1O)C(=O)CC(C)(COc1ccc(Cc3sc(=O)[nH]c3O)cc1)O2
InChIInChI=1S/C24H25NO6S/c1-3-4-15-10-20-17(11-18(15)26)19(27)12-24(2,31-20)13-30-16-7-5-14(6-8-16)9-21-22(28)25-23(29)32-21/h5-8,10-11,26,28H,3-4,9,12-13H2,1-2H3,(H,25,29)
InChIKeyNFCWDVPVIIALSM-UHFFFAOYSA-N
XLogP4.19
TPSA108.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[4-[(7-tert-butyl-6-hydroxy-4-oxo-2-propan-2-yl-3H-chromen-2-yl)methoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54538354
4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-7-propan-2-yl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 54215402
5-[(4-hexoxyphenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54287264
4-hydroxy-5-[[4-[(6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90707520
[6-acetyloxy-2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-4-yl] benzoate
CID 54260265
4-hydroxy-5-[[4-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]methyl]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90913449
[4-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]phenyl] methanesulfonate
CID 54388556
5-[[4-[2-[1-[4-(1,3-benzodioxol-5-yl)phenyl]ethenylamino]oxyethoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 56985533
4-hydroxy-5-[[4-[[6-hydroxy-5,7,8-trimethyl-2-(2-methylpropyl)-3H-1,4-benzodioxin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90834823
2-(4-butoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide
CID 91612828
3-ethyl-4-[[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one
CID 91069847
4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91934058

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-4-oxo-7-propyl-3H-chromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-4-oxo-7-propyl-3H-chromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one (CID 54108007) is 4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-4-oxo-7-propyl-3H-chromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-4-oxo-7-propyl-3H-chromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-4-oxo-7-propyl-3H-chromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one is CCCc1cc2c(cc1O)C(=O)CC(C)(COc1ccc(Cc3sc(=O)[nH]c3O)cc1)O2.
What is the InChIKey of 4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-4-oxo-7-propyl-3H-chromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is NFCWDVPVIIALSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6S/c1-3-4-15-10-20-17(11-18(15)26)19(27)12-24(2,31-20)13-30-16-7-5-14(6-8-16)9-21-22(28)25-23(29)32-21/h5-8,10-11,26,28H,3-4,9,12-13H2,1-2H3,(H,25,29).
What are the key properties of 4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-4-oxo-7-propyl-3H-chromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-4-oxo-7-propyl-3H-chromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 455.53 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-4-oxo-7-propyl-3H-chromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 54108007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).