ethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate

C13H10N2O2S2 — CID 178134006

IUPACethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2nccc3ccsc23)s1
InChIInChI=1S/C13H10N2O2S2/c1-2-17-13(16)9-7-15-12(19-9)10-11-8(3-5-14-10)4-6-18-11/h3-7H,2H2,1H3
InChIKeyAROGTFZMIYXOQG-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.60
Rot. Bonds3

About ethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate

ethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate (PubChem CID 178134006) has the molecular formula C13H10N2O2S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is ethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate
PubChem CID178134006
Molecular FormulaC13H10N2O2S2
Molecular Weight290.37 g/mol
Exact Mass290.02
IUPAC Nameethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2nccc3ccsc23)s1
InChIInChI=1S/C13H10N2O2S2/c1-2-17-13(16)9-7-15-12(19-9)10-11-8(3-5-14-10)4-6-18-11/h3-7H,2H2,1H3
InChIKeyAROGTFZMIYXOQG-UHFFFAOYSA-N
XLogP3.60
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate
CID 66644585
ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 91757223
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
methyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate
CID 178134364
ethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 141359710
ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate
CID 143301188
ethyl 2-(3-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 54007539
ethyl 2-ethylsulfanyl-1,3-thiazole-5-carboxylate
CID 173319674
ethane;ethyl 2-(3-oxopropyl)-1,3-thiazole-5-carboxylate
CID 145400595
ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate
CID 71425005
chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate
CID 20535196
ethyl 2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazole-5-carboxylate
CID 155254119

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate (CID 178134006) is ethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(-c2nccc3ccsc23)s1.
What is the InChIKey of ethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate?
The InChIKey is AROGTFZMIYXOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S2/c1-2-17-13(16)9-7-15-12(19-9)10-11-8(3-5-14-10)4-6-18-11/h3-7H,2H2,1H3.
What are the key properties of ethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate?
ethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate has a molecular weight of 290.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 178134006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).