ethyl 2-[2-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C16H15N3O4S — CID 16907007

IUPACethyl 2-[2-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc3nc(C)ccc3o2)n1
InChIInChI=1S/C16H15N3O4S/c1-3-22-14(20)6-10-8-24-16(18-10)19-15(21)13-7-11-12(23-13)5-4-9(2)17-11/h4-5,7-8H,3,6H2,1-2H3,(H,18,19,21)
InChIKeyONDQFUDJIHFIGJ-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.95
Rot. Bonds5

About ethyl 2-[2-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 16907007) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is ethyl 2-[2-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID16907007
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Nameethyl 2-[2-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc3nc(C)ccc3o2)n1
InChIInChI=1S/C16H15N3O4S/c1-3-22-14(20)6-10-8-24-16(18-10)19-15(21)13-7-11-12(23-13)5-4-9(2)17-11/h4-5,7-8H,3,6H2,1-2H3,(H,18,19,21)
InChIKeyONDQFUDJIHFIGJ-UHFFFAOYSA-N
XLogP2.95
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 16907007) is ethyl 2-[2-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cc3nc(C)ccc3o2)n1.
What is the InChIKey of ethyl 2-[2-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ONDQFUDJIHFIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-3-22-14(20)6-10-8-24-16(18-10)19-15(21)13-7-11-12(23-13)5-4-9(2)17-11/h4-5,7-8H,3,6H2,1-2H3,(H,18,19,21).
What are the key properties of ethyl 2-[2-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 345.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 16907007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).