2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide

C16H16N2O5S — CID 8016128

IUPAC2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3nccs3)cc2O1
InChIInChI=1S/C16H16N2O5S/c1-16(2)7-11(20)14-10(19)5-9(6-12(14)23-16)22-8-13(21)18-15-17-3-4-24-15/h3-6,19H,7-8H2,1-2H3,(H,17,18,21)
InChIKeyZIOGWQIBEZWNOJ-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.61
Rot. Bonds4

About 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide

2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 8016128) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID8016128
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3nccs3)cc2O1
InChIInChI=1S/C16H16N2O5S/c1-16(2)7-11(20)14-10(19)5-9(6-12(14)23-16)22-8-13(21)18-15-17-3-4-24-15/h3-6,19H,7-8H2,1-2H3,(H,17,18,21)
InChIKeyZIOGWQIBEZWNOJ-UHFFFAOYSA-N
XLogP2.61
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

(2R,3S)-2-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]-3-methylpentanoic acid
CID 51809122
2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 39377935
2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97487705
2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 4733269
2-(4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 723522
5-hydroxy-2,2-dimethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3H-chromen-4-one;hydrochloride
CID 117069117
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 715604
2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1,3-thiazol-2-yl)acetamide
CID 46266687
N-(1,3-thiazol-2-yl)-2-(2,4,6-trifluorophenyl)acetamide
CID 110487515
2-(2-aminophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 16772949
2-(2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707255
methyl 4-amino-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoate
CID 93204037

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide (CID 8016128) is 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide is CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3nccs3)cc2O1.
What is the InChIKey of 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ZIOGWQIBEZWNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-16(2)7-11(20)14-10(19)5-9(6-12(14)23-16)22-8-13(21)18-15-17-3-4-24-15/h3-6,19H,7-8H2,1-2H3,(H,17,18,21).
What are the key properties of 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide?
2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 348.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 8016128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).