methyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate

C12H8N2O2S2 — CID 178134364

IUPACmethyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2nccc3sccc23)s1
InChIInChI=1S/C12H8N2O2S2/c1-16-12(15)9-6-14-11(18-9)10-7-3-5-17-8(7)2-4-13-10/h2-6H,1H3
InChIKeyBEAXWVAPPOTQPB-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.21
Rot. Bonds2

About methyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate

methyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate (PubChem CID 178134364) has the molecular formula C12H8N2O2S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate
PubChem CID178134364
Molecular FormulaC12H8N2O2S2
Molecular Weight276.34 g/mol
Exact Mass276.00
IUPAC Namemethyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2nccc3sccc23)s1
InChIInChI=1S/C12H8N2O2S2/c1-16-12(15)9-6-14-11(18-9)10-7-3-5-17-8(7)2-4-13-10/h2-6H,1H3
InChIKeyBEAXWVAPPOTQPB-UHFFFAOYSA-N
XLogP3.21
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704
ethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate
CID 178134006
ethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate
CID 162519622
methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate
CID 103372984
methyl 2-[4-(difluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 115524717
1-thieno[3,2-c]pyridin-4-ylethanone
CID 130047659
methyl 2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 80572561
methyl 4-[2-(1-benzothiophen-4-yl)ethenyl]-1-benzothiophene-2-carboxylate
CID 57282914
methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate
CID 178132972
methyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 80571434
methyl 2-(4-bromo-3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 80574021
methyl 2-(1-propylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 103572384

Frequently Asked Questions

What is the IUPAC name of methyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate (CID 178134364) is methyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(-c2nccc3sccc23)s1.
What is the InChIKey of methyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate?
The InChIKey is BEAXWVAPPOTQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S2/c1-16-12(15)9-6-14-11(18-9)10-7-3-5-17-8(7)2-4-13-10/h2-6H,1H3.
What are the key properties of methyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate?
methyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 178134364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).