2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide

C21H16N2O4S — CID 16911422

IUPAC2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2nc(-c3cc4ccccc4oc3=O)cs2)c1
InChIInChI=1S/C21H16N2O4S/c1-26-15-7-4-5-13(9-15)10-19(24)23-21-22-17(12-28-21)16-11-14-6-2-3-8-18(14)27-20(16)25/h2-9,11-12H,10H2,1H3,(H,22,23,24)
InChIKeyZBRNDHRVBGPICK-UHFFFAOYSA-N
MW392.44 g/mol
LogP4.11
Rot. Bonds5

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

2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 16911422) has the molecular formula C21H16N2O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID16911422
Molecular FormulaC21H16N2O4S
Molecular Weight392.44 g/mol
Exact Mass392.08
IUPAC Name2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2nc(-c3cc4ccccc4oc3=O)cs2)c1
InChIInChI=1S/C21H16N2O4S/c1-26-15-7-4-5-13(9-15)10-19(24)23-21-22-17(12-28-21)16-11-14-6-2-3-8-18(14)27-20(16)25/h2-9,11-12H,10H2,1H3,(H,22,23,24)
InChIKeyZBRNDHRVBGPICK-UHFFFAOYSA-N
XLogP4.11
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)sulfanyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]propanamide
CID 41324862
2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 41340432
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 16911472
2-(3-methoxyphenyl)-N-[4-(2-methoxy-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
CID 24831672
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2550621
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 86578418
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 7915494
3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one
CID 3612453
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2676581
2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 24829572
N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 11531053

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide (CID 16911422) is 2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide is COc1cccc(CC(=O)Nc2nc(-c3cc4ccccc4oc3=O)cs2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZBRNDHRVBGPICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4S/c1-26-15-7-4-5-13(9-15)10-19(24)23-21-22-17(12-28-21)16-11-14-6-2-3-8-18(14)27-20(16)25/h2-9,11-12H,10H2,1H3,(H,22,23,24).
What are the key properties of 2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide?
2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 392.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16911422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).