4-methoxy-N-([1,2,4]thiadiazolo[2,3-a]pyridin-2-ylidene)benzamide

C14H11N3O2S — CID 2322773

IUPAC4-methoxy-N-([1,2,4]thiadiazolo[2,3-a]pyridin-2-ylidene)benzamide
SMILESCOc1ccc(C(=O)/N=c2/nc3ccccn3s2)cc1
InChIInChI=1S/C14H11N3O2S/c1-19-11-7-5-10(6-8-11)13(18)16-14-15-12-4-2-3-9-17(12)20-14/h2-9H,1H3/b16-14-
InChIKeyYJQJZYOAAZRCDK-PEZBUJJGSA-N
MW285.33 g/mol
LogP2.15
Rot. Bonds2

About 4-methoxy-N-([1,2,4]thiadiazolo[2,3-a]pyridin-2-ylidene)benzamide

4-methoxy-N-([1,2,4]thiadiazolo[2,3-a]pyridin-2-ylidene)benzamide (PubChem CID 2322773) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-methoxy-N-([1,2,4]thiadiazolo[2,3-a]pyridin-2-ylidene)benzamide.

Molecular Properties

Compound Name4-methoxy-N-([1,2,4]thiadiazolo[2,3-a]pyridin-2-ylidene)benzamide
PubChem CID2322773
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name4-methoxy-N-([1,2,4]thiadiazolo[2,3-a]pyridin-2-ylidene)benzamide
SMILESCOc1ccc(C(=O)/N=c2/nc3ccccn3s2)cc1
InChIInChI=1S/C14H11N3O2S/c1-19-11-7-5-10(6-8-11)13(18)16-14-15-12-4-2-3-9-17(12)20-14/h2-9H,1H3/b16-14-
InChIKeyYJQJZYOAAZRCDK-PEZBUJJGSA-N
XLogP2.15
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-([1,2,4]thiadiazolo[2,3-a]pyridin-2-ylidene)benzamide?
The IUPAC name of 4-methoxy-N-([1,2,4]thiadiazolo[2,3-a]pyridin-2-ylidene)benzamide (CID 2322773) is 4-methoxy-N-([1,2,4]thiadiazolo[2,3-a]pyridin-2-ylidene)benzamide.
What is the SMILES notation for 4-methoxy-N-([1,2,4]thiadiazolo[2,3-a]pyridin-2-ylidene)benzamide?
The canonical SMILES for 4-methoxy-N-([1,2,4]thiadiazolo[2,3-a]pyridin-2-ylidene)benzamide is COc1ccc(C(=O)/N=c2/nc3ccccn3s2)cc1.
What is the InChIKey of 4-methoxy-N-([1,2,4]thiadiazolo[2,3-a]pyridin-2-ylidene)benzamide?
The InChIKey is YJQJZYOAAZRCDK-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-19-11-7-5-10(6-8-11)13(18)16-14-15-12-4-2-3-9-17(12)20-14/h2-9H,1H3/b16-14-.
What are the key properties of 4-methoxy-N-([1,2,4]thiadiazolo[2,3-a]pyridin-2-ylidene)benzamide?
4-methoxy-N-([1,2,4]thiadiazolo[2,3-a]pyridin-2-ylidene)benzamide has a molecular weight of 285.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-([1,2,4]thiadiazolo[2,3-a]pyridin-2-ylidene)benzamide is sourced from PubChem (CID 2322773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).