ethyl 3-cyano-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C16H16N4O4S — CID 16879859

IUPACethyl 3-cyano-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCc2c(sc(NC(=O)c3cc(C)no3)c2C#N)C1
InChIInChI=1S/C16H16N4O4S/c1-3-23-16(22)20-5-4-10-11(7-17)15(25-13(10)8-20)18-14(21)12-6-9(2)19-24-12/h6H,3-5,8H2,1-2H3,(H,18,21)
InChIKeyVGJAJDHSZDAXCW-UHFFFAOYSA-N
MW360.40 g/mol
LogP2.68
Rot. Bonds3

About ethyl 3-cyano-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

ethyl 3-cyano-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 16879859) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is ethyl 3-cyano-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID16879859
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Nameethyl 3-cyano-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCc2c(sc(NC(=O)c3cc(C)no3)c2C#N)C1
InChIInChI=1S/C16H16N4O4S/c1-3-23-16(22)20-5-4-10-11(7-17)15(25-13(10)8-20)18-14(21)12-6-9(2)19-24-12/h6H,3-5,8H2,1-2H3,(H,18,21)
InChIKeyVGJAJDHSZDAXCW-UHFFFAOYSA-N
XLogP2.68
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-cyano-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[(4-acetylbenzoyl)amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 3260996
ethyl 3-cyano-2-[(4-methoxycarbonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 3675396
ethyl 3-cyano-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 3316497
ethyl 2-[(4-benzylbenzoyl)amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 3344400
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16879806
ethyl 3-cyano-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 4062915
ethyl 2-[3-(4-chlorophenyl)propanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 11711416
ethyl 3-cyano-2-[(2,4-difluorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43993637
ethyl 3-cyano-2-[(3-methylsulfanylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 7565214
ethyl 3-cyano-2-[(3-propan-2-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 41147973
ethyl 3-cyano-2-[(4-propan-2-yloxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 3530539
ethyl 3-cyano-2-(3,3-diphenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43993633

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-cyano-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 16879859) is ethyl 3-cyano-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-cyano-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-cyano-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is CCOC(=O)N1CCc2c(sc(NC(=O)c3cc(C)no3)c2C#N)C1.
What is the InChIKey of ethyl 3-cyano-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is VGJAJDHSZDAXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-3-23-16(22)20-5-4-10-11(7-17)15(25-13(10)8-20)18-14(21)12-6-9(2)19-24-12/h6H,3-5,8H2,1-2H3,(H,18,21).
What are the key properties of ethyl 3-cyano-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
ethyl 3-cyano-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 360.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 16879859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).