N-[4-(8-methoxy-2-oxochromen-3-yl)-5-methyl-1,3-thiazol-2-yl]acetamide

C16H14N2O4S — CID 4100229

IUPACN-[4-(8-methoxy-2-oxochromen-3-yl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc2cc(-c3nc(NC(C)=O)sc3C)c(=O)oc12
InChIInChI=1S/C16H14N2O4S/c1-8-13(18-16(23-8)17-9(2)19)11-7-10-5-4-6-12(21-3)14(10)22-15(11)20/h4-7H,1-3H3,(H,17,18,19)
InChIKeyJVFYAYQJZQNPCP-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.19
Rot. Bonds3

About N-[4-(8-methoxy-2-oxochromen-3-yl)-5-methyl-1,3-thiazol-2-yl]acetamide

N-[4-(8-methoxy-2-oxochromen-3-yl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 4100229) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-[4-(8-methoxy-2-oxochromen-3-yl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(8-methoxy-2-oxochromen-3-yl)-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID4100229
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC NameN-[4-(8-methoxy-2-oxochromen-3-yl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc2cc(-c3nc(NC(C)=O)sc3C)c(=O)oc12
InChIInChI=1S/C16H14N2O4S/c1-8-13(18-16(23-8)17-9(2)19)11-7-10-5-4-6-12(21-3)14(10)22-15(11)20/h4-7H,1-3H3,(H,17,18,19)
InChIKeyJVFYAYQJZQNPCP-UHFFFAOYSA-N
XLogP3.19
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(8-methoxy-2-oxochromen-3-yl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(8-methoxy-2-oxochromen-3-yl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 4100229) is N-[4-(8-methoxy-2-oxochromen-3-yl)-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(8-methoxy-2-oxochromen-3-yl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(8-methoxy-2-oxochromen-3-yl)-5-methyl-1,3-thiazol-2-yl]acetamide is COc1cccc2cc(-c3nc(NC(C)=O)sc3C)c(=O)oc12.
What is the InChIKey of N-[4-(8-methoxy-2-oxochromen-3-yl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is JVFYAYQJZQNPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-8-13(18-16(23-8)17-9(2)19)11-7-10-5-4-6-12(21-3)14(10)22-15(11)20/h4-7H,1-3H3,(H,17,18,19).
What are the key properties of N-[4-(8-methoxy-2-oxochromen-3-yl)-5-methyl-1,3-thiazol-2-yl]acetamide?
N-[4-(8-methoxy-2-oxochromen-3-yl)-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 330.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-methoxy-2-oxochromen-3-yl)-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 4100229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).