ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate

C16H16N4O2S2 — CID 134138693

IUPACethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1
InChIInChI=1S/C16H16N4O2S2/c1-4-22-15(21)11-5-6-13(17-7-11)20-16-19-12(8-23-16)14-9(2)18-10(3)24-14/h5-8H,4H2,1-3H3,(H,17,19,20)
InChIKeyWPKKBTJSZYWGHG-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.20
Rot. Bonds5

About ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate

ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate (PubChem CID 134138693) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate
PubChem CID134138693
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Nameethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1
InChIInChI=1S/C16H16N4O2S2/c1-4-22-15(21)11-5-6-13(17-7-11)20-16-19-12(8-23-16)14-9(2)18-10(3)24-14/h5-8H,4H2,1-3H3,(H,17,19,20)
InChIKeyWPKKBTJSZYWGHG-UHFFFAOYSA-N
XLogP4.20
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate (CID 134138693) is ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1.
What is the InChIKey of ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate?
The InChIKey is WPKKBTJSZYWGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-4-22-15(21)11-5-6-13(17-7-11)20-16-19-12(8-23-16)14-9(2)18-10(3)24-14/h5-8H,4H2,1-3H3,(H,17,19,20).
What are the key properties of ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate?
ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate has a molecular weight of 360.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 134138693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).