ethyl 2-(dimethylamino)-7-methylfuro[3,2-f][1,3]benzothiazole-6-carboxylate

C15H16N2O3S — CID 20876843

IUPACethyl 2-(dimethylamino)-7-methylfuro[3,2-f][1,3]benzothiazole-6-carboxylate
SMILESCCOC(=O)c1oc2cc3sc(N(C)C)nc3cc2c1C
InChIInChI=1S/C15H16N2O3S/c1-5-19-14(18)13-8(2)9-6-10-12(7-11(9)20-13)21-15(16-10)17(3)4/h6-7H,5H2,1-4H3
InChIKeyFCIFLZRPTSYEON-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.59
Rot. Bonds3

About ethyl 2-(dimethylamino)-7-methylfuro[3,2-f][1,3]benzothiazole-6-carboxylate

ethyl 2-(dimethylamino)-7-methylfuro[3,2-f][1,3]benzothiazole-6-carboxylate (PubChem CID 20876843) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)-7-methylfuro[3,2-f][1,3]benzothiazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)-7-methylfuro[3,2-f][1,3]benzothiazole-6-carboxylate
PubChem CID20876843
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Nameethyl 2-(dimethylamino)-7-methylfuro[3,2-f][1,3]benzothiazole-6-carboxylate
SMILESCCOC(=O)c1oc2cc3sc(N(C)C)nc3cc2c1C
InChIInChI=1S/C15H16N2O3S/c1-5-19-14(18)13-8(2)9-6-10-12(7-11(9)20-13)21-15(16-10)17(3)4/h6-7H,5H2,1-4H3
InChIKeyFCIFLZRPTSYEON-UHFFFAOYSA-N
XLogP3.59
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylamino)-7-methylfuro[3,2-f][1,3]benzothiazole-6-carboxylate?
The IUPAC name of ethyl 2-(dimethylamino)-7-methylfuro[3,2-f][1,3]benzothiazole-6-carboxylate (CID 20876843) is ethyl 2-(dimethylamino)-7-methylfuro[3,2-f][1,3]benzothiazole-6-carboxylate.
What is the SMILES notation for ethyl 2-(dimethylamino)-7-methylfuro[3,2-f][1,3]benzothiazole-6-carboxylate?
The canonical SMILES for ethyl 2-(dimethylamino)-7-methylfuro[3,2-f][1,3]benzothiazole-6-carboxylate is CCOC(=O)c1oc2cc3sc(N(C)C)nc3cc2c1C.
What is the InChIKey of ethyl 2-(dimethylamino)-7-methylfuro[3,2-f][1,3]benzothiazole-6-carboxylate?
The InChIKey is FCIFLZRPTSYEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-5-19-14(18)13-8(2)9-6-10-12(7-11(9)20-13)21-15(16-10)17(3)4/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 2-(dimethylamino)-7-methylfuro[3,2-f][1,3]benzothiazole-6-carboxylate?
ethyl 2-(dimethylamino)-7-methylfuro[3,2-f][1,3]benzothiazole-6-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylamino)-7-methylfuro[3,2-f][1,3]benzothiazole-6-carboxylate is sourced from PubChem (CID 20876843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).