N-[4-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-1,3-thiazol-2-yl]acetamide

C16H14N2O4S — CID 87181337

IUPACN-[4-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(Cc2c(C)c3ccc(O)cc3oc2=O)cs1
InChIInChI=1S/C16H14N2O4S/c1-8-12-4-3-11(20)6-14(12)22-15(21)13(8)5-10-7-23-16(18-10)17-9(2)19/h3-4,6-7,20H,5H2,1-2H3,(H,17,18,19)
InChIKeyYIMSDZMSTUGVFO-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.81
Rot. Bonds3

About N-[4-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 87181337) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-[4-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID87181337
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC NameN-[4-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(Cc2c(C)c3ccc(O)cc3oc2=O)cs1
InChIInChI=1S/C16H14N2O4S/c1-8-12-4-3-11(20)6-14(12)22-15(21)13(8)5-10-7-23-16(18-10)17-9(2)19/h3-4,6-7,20H,5H2,1-2H3,(H,17,18,19)
InChIKeyYIMSDZMSTUGVFO-UHFFFAOYSA-N
XLogP2.81
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
CID 6921838
N-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6226173
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 24524767
5-(7-hydroxy-4-methyl-2-oxochromen-3-yl)pentanoic acid
CID 174692829
CID 88930307
CID 88930307
3-[(5-amino-3-pyridinyl)methyl]-7-hydroxy-4-methylchromen-2-one
CID 131848941
2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetic acid
CID 5417130
(2S)-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoate
CID 7086901
7-hydroxy-3-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-methylchromen-2-one
CID 71664587
(2S,3R)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 5417125
4-ethyl-7-hydroxy-3-methylchromen-2-one
CID 13309299

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 87181337) is N-[4-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(Cc2c(C)c3ccc(O)cc3oc2=O)cs1.
What is the InChIKey of N-[4-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YIMSDZMSTUGVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-8-12-4-3-11(20)6-14(12)22-15(21)13(8)5-10-7-23-16(18-10)17-9(2)19/h3-4,6-7,20H,5H2,1-2H3,(H,17,18,19).
What are the key properties of N-[4-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 330.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87181337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).