2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1,3-thiazol-2-yl)propanamide

C16H14N2O4S — CID 2969827

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(=O)oc2cc(OC(C)C(=O)Nc3nccs3)ccc12
InChIInChI=1S/C16H14N2O4S/c1-9-7-14(19)22-13-8-11(3-4-12(9)13)21-10(2)15(20)18-16-17-5-6-23-16/h3-8,10H,1-2H3,(H,17,18,20)
InChIKeyYZIMHCVKTQWEEE-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.96
Rot. Bonds4

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1,3-thiazol-2-yl)propanamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 2969827) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1,3-thiazol-2-yl)propanamide
PubChem CID2969827
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(=O)oc2cc(OC(C)C(=O)Nc3nccs3)ccc12
InChIInChI=1S/C16H14N2O4S/c1-9-7-14(19)22-13-8-11(3-4-12(9)13)21-10(2)15(20)18-16-17-5-6-23-16/h3-8,10H,1-2H3,(H,17,18,20)
InChIKeyYZIMHCVKTQWEEE-UHFFFAOYSA-N
XLogP2.96
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.96
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

2-(2,3-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 888214
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 4944777
2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-N-(thiazol-2-yl)acetamide
CID 8057412
2-((2-oxo-2H-chromen-7-yl)oxy)-N-(thiazol-2-yl)acetamide
CID 8071374
ethyl 2-(2-(2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)thiazol-4-yl)acetate
CID 1078094
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2092670
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(1,3-thiazol-2-yl)acetamide
CID 8069390
2-((3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy)-N-(thiazol-2-yl)acetamide
CID 8070055
2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2977276
3-Benzyl-7-[2-hydroxy-3-(1,3-thiazol-2-ylamino)propoxy]-4-methylchromen-2-one
CID 162516400
7-[2-Hydroxy-3-(1,3-thiazol-2-ylamino)propoxy]-4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]chromen-2-one
CID 162516423
7-[2-Hydroxy-3-(1,3-thiazol-2-ylamino)propoxy]-4-methyl-3-[(4-phenylphenyl)methyl]chromen-2-one
CID 162516432

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1,3-thiazol-2-yl)propanamide (CID 2969827) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1,3-thiazol-2-yl)propanamide is Cc1cc(=O)oc2cc(OC(C)C(=O)Nc3nccs3)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is YZIMHCVKTQWEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-9-7-14(19)22-13-8-11(3-4-12(9)13)21-10(2)15(20)18-16-17-5-6-23-16/h3-8,10H,1-2H3,(H,17,18,20).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1,3-thiazol-2-yl)propanamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 330.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2969827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).