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

C16H14N2O3S — CID 171911797

IUPACN-(4-methyl-2-oxochromen-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cs1
InChIInChI=1S/C16H14N2O3S/c1-9-5-16(20)21-14-6-11(3-4-13(9)14)18-15(19)7-12-8-22-10(2)17-12/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKeyHVOGMCOXTMIZJM-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.05
Rot. Bonds3

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

N-(4-methyl-2-oxochromen-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 171911797) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID171911797
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cs1
InChIInChI=1S/C16H14N2O3S/c1-9-5-16(20)21-14-6-11(3-4-13(9)14)18-15(19)7-12-8-22-10(2)17-12/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKeyHVOGMCOXTMIZJM-UHFFFAOYSA-N
XLogP3.05
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 171911797) is N-(4-methyl-2-oxochromen-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cs1.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is HVOGMCOXTMIZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-9-5-16(20)21-14-6-11(3-4-13(9)14)18-15(19)7-12-8-22-10(2)17-12/h3-6,8H,7H2,1-2H3,(H,18,19).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(4-methyl-2-oxochromen-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 314.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 171911797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).