2-(3,4-dihydro-2H-quinolin-1-yl)-N-(furan-2-ylmethyl)thieno[3,4-d][1,3]thiazole-4-carboxamide

C20H17N3O2S2 — CID 121020870

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-(furan-2-ylmethyl)thieno[3,4-d][1,3]thiazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1scc2sc(N3CCCc4ccccc43)nc12
InChIInChI=1S/C20H17N3O2S2/c24-19(21-11-14-7-4-10-25-14)18-17-16(12-26-18)27-20(22-17)23-9-3-6-13-5-1-2-8-15(13)23/h1-2,4-5,7-8,10,12H,3,6,9,11H2,(H,21,24)
InChIKeyXIPVHKRCAGYGIF-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.97
Rot. Bonds4

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(furan-2-ylmethyl)thieno[3,4-d][1,3]thiazole-4-carboxamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(furan-2-ylmethyl)thieno[3,4-d][1,3]thiazole-4-carboxamide (PubChem CID 121020870) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(furan-2-ylmethyl)thieno[3,4-d][1,3]thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(furan-2-ylmethyl)thieno[3,4-d][1,3]thiazole-4-carboxamide
PubChem CID121020870
Molecular FormulaC20H17N3O2S2
Molecular Weight395.51 g/mol
Exact Mass395.08
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(furan-2-ylmethyl)thieno[3,4-d][1,3]thiazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1scc2sc(N3CCCc4ccccc43)nc12
InChIInChI=1S/C20H17N3O2S2/c24-19(21-11-14-7-4-10-25-14)18-17-16(12-26-18)27-20(22-17)23-9-3-6-13-5-1-2-8-15(13)23/h1-2,4-5,7-8,10,12H,3,6,9,11H2,(H,21,24)
InChIKeyXIPVHKRCAGYGIF-UHFFFAOYSA-N
XLogP4.97
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(furan-2-ylmethyl)thieno[3,4-d][1,3]thiazole-4-carboxamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(furan-2-ylmethyl)thieno[3,4-d][1,3]thiazole-4-carboxamide (CID 121020870) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(furan-2-ylmethyl)thieno[3,4-d][1,3]thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(furan-2-ylmethyl)thieno[3,4-d][1,3]thiazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(furan-2-ylmethyl)thieno[3,4-d][1,3]thiazole-4-carboxamide is O=C(NCc1ccco1)c1scc2sc(N3CCCc4ccccc43)nc12.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(furan-2-ylmethyl)thieno[3,4-d][1,3]thiazole-4-carboxamide?
The InChIKey is XIPVHKRCAGYGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c24-19(21-11-14-7-4-10-25-14)18-17-16(12-26-18)27-20(22-17)23-9-3-6-13-5-1-2-8-15(13)23/h1-2,4-5,7-8,10,12H,3,6,9,11H2,(H,21,24).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(furan-2-ylmethyl)thieno[3,4-d][1,3]thiazole-4-carboxamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(furan-2-ylmethyl)thieno[3,4-d][1,3]thiazole-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(furan-2-ylmethyl)thieno[3,4-d][1,3]thiazole-4-carboxamide is sourced from PubChem (CID 121020870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).