ethyl 2-[[6-(oxolan-2-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate

C17H19N3O5S — CID 121017310

IUPACethyl 2-[[6-(oxolan-2-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(OCC3CCCO3)nc2)n1
InChIInChI=1S/C17H19N3O5S/c1-2-23-16(22)13-10-26-17(19-13)20-15(21)11-5-6-14(18-8-11)25-9-12-4-3-7-24-12/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,19,20,21)
InChIKeyGHGUQDKSRBBMDW-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.52
Rot. Bonds7

About ethyl 2-[[6-(oxolan-2-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[6-(oxolan-2-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 121017310) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is ethyl 2-[[6-(oxolan-2-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[6-(oxolan-2-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID121017310
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Nameethyl 2-[[6-(oxolan-2-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(OCC3CCCO3)nc2)n1
InChIInChI=1S/C17H19N3O5S/c1-2-23-16(22)13-10-26-17(19-13)20-15(21)11-5-6-14(18-8-11)25-9-12-4-3-7-24-12/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,19,20,21)
InChIKeyGHGUQDKSRBBMDW-UHFFFAOYSA-N
XLogP2.52
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(oxolan-2-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[6-(oxolan-2-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate (CID 121017310) is ethyl 2-[[6-(oxolan-2-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[6-(oxolan-2-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[6-(oxolan-2-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2ccc(OCC3CCCO3)nc2)n1.
What is the InChIKey of ethyl 2-[[6-(oxolan-2-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is GHGUQDKSRBBMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-2-23-16(22)13-10-26-17(19-13)20-15(21)11-5-6-14(18-8-11)25-9-12-4-3-7-24-12/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,19,20,21).
What are the key properties of ethyl 2-[[6-(oxolan-2-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[6-(oxolan-2-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 377.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(oxolan-2-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 121017310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).