N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide

C15H13N3O4S — CID 26881258

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCCc1nnc(NC(=O)COc2ccc3ccc(=O)oc3c2)s1
InChIInChI=1S/C15H13N3O4S/c1-2-13-17-18-15(23-13)16-12(19)8-21-10-5-3-9-4-6-14(20)22-11(9)7-10/h3-7H,2,8H2,1H3,(H,16,18,19)
InChIKeyHUWXDMFCSUIAFC-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.22
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 26881258) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID26881258
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCCc1nnc(NC(=O)COc2ccc3ccc(=O)oc3c2)s1
InChIInChI=1S/C15H13N3O4S/c1-2-13-17-18-15(23-13)16-12(19)8-21-10-5-3-9-4-6-14(20)22-11(9)7-10/h3-7H,2,8H2,1H3,(H,16,18,19)
InChIKeyHUWXDMFCSUIAFC-UHFFFAOYSA-N
XLogP2.22
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.22
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

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2519147
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 35999133
2-(2-oxochromen-7-yl)oxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 26196419
2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 78767939
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 29412525
N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 7565046
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51142621
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
N-(6-methoxy-3-pyridinyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 26515775
N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 32603710
N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 46616354

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide (CID 26881258) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide is CCc1nnc(NC(=O)COc2ccc3ccc(=O)oc3c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is HUWXDMFCSUIAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-2-13-17-18-15(23-13)16-12(19)8-21-10-5-3-9-4-6-14(20)22-11(9)7-10/h3-7H,2,8H2,1H3,(H,16,18,19).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 331.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 26881258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).