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

C14H13N5S — CID 86249746

IUPACN-ethyl-4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)aniline
SMILESCCNc1ccc(/N=N/c2nc3ccncc3s2)cc1
InChIInChI=1S/C14H13N5S/c1-2-16-10-3-5-11(6-4-10)18-19-14-17-12-7-8-15-9-13(12)20-14/h3-9,16H,2H2,1H3/b19-18+
InChIKeyVGINMPLJHODHQQ-VHEBQXMUSA-N
MW283.36 g/mol
LogP4.54
Rot. Bonds4

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

N-ethyl-4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)aniline (PubChem CID 86249746) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is N-ethyl-4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)aniline.

Molecular Properties

Compound NameN-ethyl-4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)aniline
PubChem CID86249746
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC NameN-ethyl-4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)aniline
SMILESCCNc1ccc(/N=N/c2nc3ccncc3s2)cc1
InChIInChI=1S/C14H13N5S/c1-2-16-10-3-5-11(6-4-10)18-19-14-17-12-7-8-15-9-13(12)20-14/h3-9,16H,2H2,1H3/b19-18+
InChIKeyVGINMPLJHODHQQ-VHEBQXMUSA-N
XLogP4.54
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl-[4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)phenyl]cyanamide
CID 86249762
2-[4-[[2-[[4-(ethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethyl 2-methylprop-2-enoate
CID 167346497
2-(2-methylbutan-2-yl)-[1,3]thiazolo[5,4-c]pyridine
CID 142339795
4-[4-(3,4-dimethyl-1,6-naphthyridin-2-yl)phenyl]-N-ethylaniline
CID 145465310
4-(1,3-benzothiazol-2-yldiazenyl)-N-ethyl-N-methylaniline
CID 163643929
sodium [4-[[5-(3-methylbutyl)thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]anilino]methanesulfonate
CID 168747184
1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216733
methyl [1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 83387319
[1,3]thiazolo[5,4-c]pyridin-2-ylmethanol
CID 83383627
4-(1,3-benzothiazol-2-yl)-N-ethylaniline
CID 83380375
[4-[[5-[[4-(trifluoromethyl)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]anilino]methanesulfonic acid
CID 130352327
sodium [4-[[5-(3,5,5-trimethylhexyl)thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]anilino]methanesulfonate
CID 168747189

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)aniline?
The IUPAC name of N-ethyl-4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)aniline (CID 86249746) is N-ethyl-4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)aniline.
What is the SMILES notation for N-ethyl-4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)aniline?
The canonical SMILES for N-ethyl-4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)aniline is CCNc1ccc(/N=N/c2nc3ccncc3s2)cc1.
What is the InChIKey of N-ethyl-4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)aniline?
The InChIKey is VGINMPLJHODHQQ-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H13N5S/c1-2-16-10-3-5-11(6-4-10)18-19-14-17-12-7-8-15-9-13(12)20-14/h3-9,16H,2H2,1H3/b19-18+.
What are the key properties of N-ethyl-4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)aniline?
N-ethyl-4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)aniline has a molecular weight of 283.36 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-([1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)aniline is sourced from PubChem (CID 86249746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).