ethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate

C15H13N3O4S — CID 16906877

IUPACethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc3ncccc3o2)n1
InChIInChI=1S/C15H13N3O4S/c1-2-21-13(19)6-9-8-23-15(17-9)18-14(20)12-7-10-11(22-12)4-3-5-16-10/h3-5,7-8H,2,6H2,1H3,(H,17,18,20)
InChIKeyNHVGEYNWBYDBDD-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.64
Rot. Bonds5

About ethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 16906877) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is ethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID16906877
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Nameethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc3ncccc3o2)n1
InChIInChI=1S/C15H13N3O4S/c1-2-21-13(19)6-9-8-23-15(17-9)18-14(20)12-7-10-11(22-12)4-3-5-16-10/h3-5,7-8H,2,6H2,1H3,(H,17,18,20)
InChIKeyNHVGEYNWBYDBDD-UHFFFAOYSA-N
XLogP2.64
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 21046463
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ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
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ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
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CID 52907942
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ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
ethyl 2-[2-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19458910
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
ethyl 2-[2-[(6-bromopyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate (CID 16906877) is ethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cc3ncccc3o2)n1.
What is the InChIKey of ethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is NHVGEYNWBYDBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-2-21-13(19)6-9-8-23-15(17-9)18-14(20)12-7-10-11(22-12)4-3-5-16-10/h3-5,7-8H,2,6H2,1H3,(H,17,18,20).
What are the key properties of ethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 331.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 16906877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).