ethyl 2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyridine-3-carboxylate

C14H16N4O3S — CID 2374963

IUPACethyl 2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)Nc2nccs2)c(C)nc1C
InChIInChI=1S/C14H16N4O3S/c1-4-21-12(19)10-7-11(9(3)16-8(10)2)17-13(20)18-14-15-5-6-22-14/h5-7H,4H2,1-3H3,(H2,15,17,18,20)
InChIKeyFGIAPVJOUIJRLZ-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.98
Rot. Bonds4

About ethyl 2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyridine-3-carboxylate

ethyl 2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyridine-3-carboxylate (PubChem CID 2374963) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is ethyl 2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyridine-3-carboxylate
PubChem CID2374963
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Nameethyl 2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)Nc2nccs2)c(C)nc1C
InChIInChI=1S/C14H16N4O3S/c1-4-21-12(19)10-7-11(9(3)16-8(10)2)17-13(20)18-14-15-5-6-22-14/h5-7H,4H2,1-3H3,(H2,15,17,18,20)
InChIKeyFGIAPVJOUIJRLZ-UHFFFAOYSA-N
XLogP2.98
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyridine-3-carboxylate (CID 2374963) is ethyl 2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyridine-3-carboxylate is CCOC(=O)c1cc(NC(=O)Nc2nccs2)c(C)nc1C.
What is the InChIKey of ethyl 2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyridine-3-carboxylate?
The InChIKey is FGIAPVJOUIJRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-4-21-12(19)10-7-11(9(3)16-8(10)2)17-13(20)18-14-15-5-6-22-14/h5-7H,4H2,1-3H3,(H2,15,17,18,20).
What are the key properties of ethyl 2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyridine-3-carboxylate?
ethyl 2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyridine-3-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyridine-3-carboxylate is sourced from PubChem (CID 2374963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).