ethyl 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylate

C18H20N2O3S — CID 6624859

IUPACethyl 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylate
SMILESCCOC(=O)c1oc2cc3sc(N4CCCCC4)nc3cc2c1C
InChIInChI=1S/C18H20N2O3S/c1-3-22-17(21)16-11(2)12-9-13-15(10-14(12)23-16)24-18(19-13)20-7-5-4-6-8-20/h9-10H,3-8H2,1-2H3
InChIKeyLNLGQVOXHJFINE-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.52
Rot. Bonds3

About ethyl 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylate

ethyl 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylate (PubChem CID 6624859) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is ethyl 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylate
PubChem CID6624859
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Nameethyl 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylate
SMILESCCOC(=O)c1oc2cc3sc(N4CCCCC4)nc3cc2c1C
InChIInChI=1S/C18H20N2O3S/c1-3-22-17(21)16-11(2)12-9-13-15(10-14(12)23-16)24-18(19-13)20-7-5-4-6-8-20/h9-10H,3-8H2,1-2H3
InChIKeyLNLGQVOXHJFINE-UHFFFAOYSA-N
XLogP4.52
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylic acid
CID 20876848
ethyl 2-(dimethylamino)-7-methylfuro[3,2-f][1,3]benzothiazole-6-carboxylate
CID 20876843
ethyl 3-methyl-5-[(2-piperidin-1-yl-4,5-dihydroimidazol-1-yl)sulfonyl]-1-benzofuran-2-carboxylate
CID 53072014
ethyl 2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole-6-carboxylate
CID 59625687
ethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate
CID 97035612
ethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 138688419
ethyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-benzothiazole-6-carboxylate
CID 74927118
ethyl 2-(azepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80568096
ethyl 6-chloro-5-hydroxy-3-methyl-1-benzofuran-2-carboxylate
CID 148546105
ethyl 5-bromo-3-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate
CID 55997674
2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate;hydrochloride
CID 138399237
ethyl 5-formyl-3-methyl-1-benzofuran-2-carboxylate;N-methylcyclobutanamine
CID 145274258

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylate?
The IUPAC name of ethyl 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylate (CID 6624859) is ethyl 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylate.
What is the SMILES notation for ethyl 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylate?
The canonical SMILES for ethyl 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylate is CCOC(=O)c1oc2cc3sc(N4CCCCC4)nc3cc2c1C.
What is the InChIKey of ethyl 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylate?
The InChIKey is LNLGQVOXHJFINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-22-17(21)16-11(2)12-9-13-15(10-14(12)23-16)24-18(19-13)20-7-5-4-6-8-20/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylate?
ethyl 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylate has a molecular weight of 344.44 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylate is sourced from PubChem (CID 6624859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).