2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide

C18H18N2O2S2 — CID 20971834

IUPAC2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
SMILESCc1nc2c(s1)CCc1oc(C(=O)NCCc3cccs3)c(C)c1-2
InChIInChI=1S/C18H18N2O2S2/c1-10-15-13(5-6-14-16(15)20-11(2)24-14)22-17(10)18(21)19-8-7-12-4-3-9-23-12/h3-4,9H,5-8H2,1-2H3,(H,19,21)
InChIKeyKDUJZDQRXMVHDX-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.15
Rot. Bonds4

About 2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide

2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide (PubChem CID 20971834) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide.

Molecular Properties

Compound Name2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
PubChem CID20971834
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
SMILESCc1nc2c(s1)CCc1oc(C(=O)NCCc3cccs3)c(C)c1-2
InChIInChI=1S/C18H18N2O2S2/c1-10-15-13(5-6-14-16(15)20-11(2)24-14)22-17(10)18(21)19-8-7-12-4-3-9-23-12/h3-4,9H,5-8H2,1-2H3,(H,19,21)
InChIKeyKDUJZDQRXMVHDX-UHFFFAOYSA-N
XLogP4.15
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-2,8-dimethyl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
CID 146072837
(4E)-4-(diaminomethylidenehydrazinylidene)-3-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19162432
(4E)-4-(benzoylhydrazinylidene)-3-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155213
(4E)-3-methyl-4-[(4-phenylbenzoyl)hydrazinylidene]-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19160755
(4E)-4-(2,2,3,3,4,4,4-heptafluorobutanoylhydrazinylidene)-3-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161091
(4E)-3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19159243
2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684821
(4E)-3-methyl-N-(2-thiophen-2-ylethyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161763
3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 55665909
(4E)-3-methyl-N-propyl-4-(thiophene-2-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161318
4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide
CID 110689356
8-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide
CID 22511770

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
The IUPAC name of 2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide (CID 20971834) is 2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide.
What is the SMILES notation for 2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
The canonical SMILES for 2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide is Cc1nc2c(s1)CCc1oc(C(=O)NCCc3cccs3)c(C)c1-2.
What is the InChIKey of 2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
The InChIKey is KDUJZDQRXMVHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-10-15-13(5-6-14-16(15)20-11(2)24-14)22-17(10)18(21)19-8-7-12-4-3-9-23-12/h3-4,9H,5-8H2,1-2H3,(H,19,21).
What are the key properties of 2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-N-(2-thiophen-2-ylethyl)-4,5-dihydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide is sourced from PubChem (CID 20971834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).