ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

C15H18N2O4S — CID 10358756

IUPACethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c12
InChIInChI=1S/C15H18N2O4S/c1-5-20-14(18)12-11(17-15(19)21-6-2)10-8(3)7-9(4)16-13(10)22-12/h7H,5-6H2,1-4H3,(H,17,19)
InChIKeyYYRHETQDNHNONB-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.66
Rot. Bonds4

About ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 10358756) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID10358756
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Nameethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c12
InChIInChI=1S/C15H18N2O4S/c1-5-20-14(18)12-11(17-15(19)21-6-2)10-8(3)7-9(4)16-13(10)22-12/h7H,5-6H2,1-4H3,(H,17,19)
InChIKeyYYRHETQDNHNONB-UHFFFAOYSA-N
XLogP3.66
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[(2-chloroacetyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 4962060
ethyl 4,6-dimethyl-3-[(3-phenoxybenzoyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 2373730
ethyl 3-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 170908753
ethyl 4,6-dimethyl-3-[(3-methylsulfonylbenzoyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 40952135
ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 740873
ethyl 3-[[2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 38908845
ethyl 3-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 121040906
ethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 121043248
2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 170908746
ethyl N-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)carbamate
CID 3536011
ethyl 3-(furan-2-carbonylamino)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 5299683
3-amino-N-(4-ethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734377

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (CID 10358756) is ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)Nc1c(C(=O)OCC)sc2nc(C)cc(C)c12.
What is the InChIKey of ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is YYRHETQDNHNONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-5-20-14(18)12-11(17-15(19)21-6-2)10-8(3)7-9(4)16-13(10)22-12/h7H,5-6H2,1-4H3,(H,17,19).
What are the key properties of ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 322.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 10358756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).