N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide

C19H19N3O4S — CID 52899161

IUPACN-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)Nc3nnc(C4CCC4)s3)c(=O)oc2c1
InChIInChI=1S/C19H19N3O4S/c1-10-13-7-6-12(25-2)8-15(13)26-18(24)14(10)9-16(23)20-19-22-21-17(27-19)11-4-3-5-11/h6-8,11H,3-5,9H2,1-2H3,(H,20,22,23)
InChIKeyXFOIIJSVWRXILL-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.41
Rot. Bonds5

About N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide

N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide (PubChem CID 52899161) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
PubChem CID52899161
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)Nc3nnc(C4CCC4)s3)c(=O)oc2c1
InChIInChI=1S/C19H19N3O4S/c1-10-13-7-6-12(25-2)8-15(13)26-18(24)14(10)9-16(23)20-19-22-21-17(27-19)11-4-3-5-11/h6-8,11H,3-5,9H2,1-2H3,(H,20,22,23)
InChIKeyXFOIIJSVWRXILL-UHFFFAOYSA-N
XLogP3.41
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 42655892
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 18103435
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 39040767
N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4893034
2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 75366526
2-(2-fluoro-5-methoxyphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(2-fluoro-5-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163388
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 39040573
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-methoxy-2-oxochromene-3-carboxamide
CID 19229187
N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 86719123
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 52899109
2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide
CID 52905239
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 16604979

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide?
The IUPAC name of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide (CID 52899161) is N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide.
What is the SMILES notation for N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide?
The canonical SMILES for N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide is COc1ccc2c(C)c(CC(=O)Nc3nnc(C4CCC4)s3)c(=O)oc2c1.
What is the InChIKey of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide?
The InChIKey is XFOIIJSVWRXILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-10-13-7-6-12(25-2)8-15(13)26-18(24)14(10)9-16(23)20-19-22-21-17(27-19)11-4-3-5-11/h6-8,11H,3-5,9H2,1-2H3,(H,20,22,23).
What are the key properties of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide?
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide has a molecular weight of 385.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 52899161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).