ethyl-[4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)phenyl]cyanamide

C15H12N6S — CID 86249762

IUPACethyl-[4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)phenyl]cyanamide
SMILESCCN(C#N)c1ccc(/N=N/c2nc3ccncc3s2)cc1
InChIInChI=1S/C15H12N6S/c1-2-21(10-16)12-5-3-11(4-6-12)19-20-15-18-13-7-8-17-9-14(13)22-15/h3-9H,2H2,1H3/b20-19+
InChIKeyPOSBKZXRQFASSZ-FMQUCBEESA-N
MW308.37 g/mol
LogP4.41
Rot. Bonds4

About ethyl-[4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)phenyl]cyanamide

ethyl-[4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)phenyl]cyanamide (PubChem CID 86249762) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is ethyl-[4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)phenyl]cyanamide.

Molecular Properties

Compound Nameethyl-[4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)phenyl]cyanamide
PubChem CID86249762
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC Nameethyl-[4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)phenyl]cyanamide
SMILESCCN(C#N)c1ccc(/N=N/c2nc3ccncc3s2)cc1
InChIInChI=1S/C15H12N6S/c1-2-21(10-16)12-5-3-11(4-6-12)19-20-15-18-13-7-8-17-9-14(13)22-15/h3-9H,2H2,1H3/b20-19+
InChIKeyPOSBKZXRQFASSZ-FMQUCBEESA-N
XLogP4.41
TPSA77.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-[4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)phenyl]cyanamide?
The IUPAC name of ethyl-[4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)phenyl]cyanamide (CID 86249762) is ethyl-[4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)phenyl]cyanamide.
What is the SMILES notation for ethyl-[4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)phenyl]cyanamide?
The canonical SMILES for ethyl-[4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)phenyl]cyanamide is CCN(C#N)c1ccc(/N=N/c2nc3ccncc3s2)cc1.
What is the InChIKey of ethyl-[4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)phenyl]cyanamide?
The InChIKey is POSBKZXRQFASSZ-FMQUCBEESA-N. The full InChI is InChI=1S/C15H12N6S/c1-2-21(10-16)12-5-3-11(4-6-12)19-20-15-18-13-7-8-17-9-14(13)22-15/h3-9H,2H2,1H3/b20-19+.
What are the key properties of ethyl-[4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)phenyl]cyanamide?
ethyl-[4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)phenyl]cyanamide has a molecular weight of 308.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)phenyl]cyanamide is sourced from PubChem (CID 86249762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).