[2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]-4-oxochromen-5-yl] 2-methylpropanoate

C24H20N2O7S — CID 90724383

IUPAC[2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]-4-oxochromen-5-yl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1cccc2oc(C(=O)Nc3ccc(Cc4sc(=O)[nH]c4O)cc3)cc(=O)c12
InChIInChI=1S/C24H20N2O7S/c1-12(2)23(30)33-17-5-3-4-16-20(17)15(27)11-18(32-16)21(28)25-14-8-6-13(7-9-14)10-19-22(29)26-24(31)34-19/h3-9,11-12,29H,10H2,1-2H3,(H,25,28)(H,26,31)
InChIKeySUCZNLAQQYPGJD-UHFFFAOYSA-N
MW480.50 g/mol
LogP3.65
Rot. Bonds6

About [2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]-4-oxochromen-5-yl] 2-methylpropanoate

[2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]-4-oxochromen-5-yl] 2-methylpropanoate (PubChem CID 90724383) has the molecular formula C24H20N2O7S and a molecular weight of 480.50 g/mol. Its IUPAC name is [2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]-4-oxochromen-5-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]-4-oxochromen-5-yl] 2-methylpropanoate
PubChem CID90724383
Molecular FormulaC24H20N2O7S
Molecular Weight480.50 g/mol
Exact Mass480.10
IUPAC Name[2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]-4-oxochromen-5-yl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1cccc2oc(C(=O)Nc3ccc(Cc4sc(=O)[nH]c4O)cc3)cc(=O)c12
InChIInChI=1S/C24H20N2O7S/c1-12(2)23(30)33-17-5-3-4-16-20(17)15(27)11-18(32-16)21(28)25-14-8-6-13(7-9-14)10-19-22(29)26-24(31)34-19/h3-9,11-12,29H,10H2,1-2H3,(H,25,28)(H,26,31)
InChIKeySUCZNLAQQYPGJD-UHFFFAOYSA-N
XLogP3.65
TPSA138.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-N-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxamide
CID 91420112
[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]carbamoyl]-4-oxochromen-5-yl] acetate
CID 18546055
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
2-(4-ethoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide
CID 90895076
5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91934015
N-[4-[2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]methyl]-3-methylbenzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide
CID 90961005
4-hydroxy-5-[[4-(2-phenylethyl)phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91934054
N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide
CID 31855114
4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one
CID 91934024
5-[[4-[3-(1,3-benzoxazol-2-yloxy)propoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54106589
1-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]-1-methyl-3-naphthalen-2-ylurea
CID 91417587
4-hydroxy-5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90835967

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]-4-oxochromen-5-yl] 2-methylpropanoate?
The IUPAC name of [2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]-4-oxochromen-5-yl] 2-methylpropanoate (CID 90724383) is [2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]-4-oxochromen-5-yl] 2-methylpropanoate.
What is the SMILES notation for [2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]-4-oxochromen-5-yl] 2-methylpropanoate?
The canonical SMILES for [2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]-4-oxochromen-5-yl] 2-methylpropanoate is CC(C)C(=O)Oc1cccc2oc(C(=O)Nc3ccc(Cc4sc(=O)[nH]c4O)cc3)cc(=O)c12.
What is the InChIKey of [2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]-4-oxochromen-5-yl] 2-methylpropanoate?
The InChIKey is SUCZNLAQQYPGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O7S/c1-12(2)23(30)33-17-5-3-4-16-20(17)15(27)11-18(32-16)21(28)25-14-8-6-13(7-9-14)10-19-22(29)26-24(31)34-19/h3-9,11-12,29H,10H2,1-2H3,(H,25,28)(H,26,31).
What are the key properties of [2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]-4-oxochromen-5-yl] 2-methylpropanoate?
[2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]-4-oxochromen-5-yl] 2-methylpropanoate has a molecular weight of 480.50 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]carbamoyl]-4-oxochromen-5-yl] 2-methylpropanoate is sourced from PubChem (CID 90724383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).