ethyl 3-cyano-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C16H15N3O3S2 — CID 4104290

IUPACethyl 3-cyano-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCc2c(sc(NC(=O)c3cccs3)c2C#N)C1
InChIInChI=1S/C16H15N3O3S2/c1-2-22-16(21)19-6-5-10-11(8-17)15(24-13(10)9-19)18-14(20)12-4-3-7-23-12/h3-4,7H,2,5-6,9H2,1H3,(H,18,20)
InChIKeyHHLQQPDXPOOOLM-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.45
Rot. Bonds3

About ethyl 3-cyano-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

ethyl 3-cyano-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 4104290) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is ethyl 3-cyano-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID4104290
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC Nameethyl 3-cyano-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCc2c(sc(NC(=O)c3cccs3)c2C#N)C1
InChIInChI=1S/C16H15N3O3S2/c1-2-22-16(21)19-6-5-10-11(8-17)15(24-13(10)9-19)18-14(20)12-4-3-7-23-12/h3-4,7H,2,5-6,9H2,1H3,(H,18,20)
InChIKeyHHLQQPDXPOOOLM-UHFFFAOYSA-N
XLogP3.45
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-cyano-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate with MolForge

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Related Compounds

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide
CID 839896
N-[3-(diethylcarbamoyl)-4H,5H,7H-thieno[2,3-c]thiopyran-2-yl]thiophene-2-carboxamide
CID 24901577
4-cyano-N,N-diethyl-3-methyl-5-[(2-thiophen-2-ylacetyl)amino]thiophene-2-carboxamide
CID 655690
4-cyano-N,N-diethyl-3-methyl-5-[(thiophen-2-ylcarbonyl)amino]thiophene-2-carboxamide
CID 829012
3-N,3-N-diethyl-4,5-dimethyl-2-N-(thiophene-2-)thiophene-2,3-diamido
CID 24901562
3-N,3-N-diethyl-2-N-(thiophene-2-)-4H,5H,6H,7H-thieno[2,3-c]pyridine-2,3-diamido
CID 24901578
N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]thiophene-2-carboxamide
CID 653449
ethyl 3-cyano-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
CID 4182743
6-acetyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5195125
(8-Cyano-7-methylsulfanyl-4-oxo-4H-1,6-dithia-5-aza-as-indacen-5-yl)-acetic acid ethyl ester
CID 632501
ethyl 3-cyano-2-(4-fluorobenzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
CID 4366901
ethyl N-[2-[[5-(piperidine-1-carbonyl)thiophene-2-carbonyl]amino]thiophene-3-carbonyl]carbamate
CID 164626854

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-cyano-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 4104290) is ethyl 3-cyano-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-cyano-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-cyano-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is CCOC(=O)N1CCc2c(sc(NC(=O)c3cccs3)c2C#N)C1.
What is the InChIKey of ethyl 3-cyano-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is HHLQQPDXPOOOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-2-22-16(21)19-6-5-10-11(8-17)15(24-13(10)9-19)18-14(20)12-4-3-7-23-12/h3-4,7H,2,5-6,9H2,1H3,(H,18,20).
What are the key properties of ethyl 3-cyano-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
ethyl 3-cyano-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 361.45 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 4104290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).