N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide

C16H14N2O3S — CID 2115891

IUPACN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)C1CCC1
InChIInChI=1S/C16H14N2O3S/c19-15(10-4-1-5-10)18-16-17-13(11-6-2-8-20-11)14(22-16)12-7-3-9-21-12/h2-3,6-10H,1,4-5H2,(H,17,18,19)
InChIKeySJEWFQUOZVMLPB-UHFFFAOYSA-N
MW314.37 g/mol
LogP4.40
Rot. Bonds4

About N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide (PubChem CID 2115891) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
PubChem CID2115891
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)C1CCC1
InChIInChI=1S/C16H14N2O3S/c19-15(10-4-1-5-10)18-16-17-13(11-6-2-8-20-11)14(22-16)12-7-3-9-21-12/h2-3,6-10H,1,4-5H2,(H,17,18,19)
InChIKeySJEWFQUOZVMLPB-UHFFFAOYSA-N
XLogP4.40
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bis(furan-2-yl)-1,3-thiazol-2-amine
CID 2428993
(4-(Furan-2-yl)-2-(thiophen-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone
CID 15950360
(2-(3,4-Difluorobenzylamino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
CID 16050635
(2-(Benzyl(furan-2-ylmethyl)amino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
CID 25211166
(4-(Furan-2-yl)-2-(furan-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone
CID 25211167
(4-(Furan-2-yl)-2-(methylamino)thiazol-5-yl)(phenyl)methanone
CID 44581364
(4-(Furan-2-yl)-2-(isobutylamino)thiazol-5-yl)(phenyl)methanone
CID 44581365
(4-(Furan-2-yl)-2-(2-methoxyethylamino)thiazol-5-yl)(phenyl)methanone
CID 44581366
N-(2-(5-benzoyl-4-(furan-2-yl)thiazol-2-ylamino)ethyl)acetamide
CID 44581368
1-(4-(5-Benzoyl-4-(furan-2-yl)thiazol-2-ylamino)piperidin-1-yl)ethanone
CID 44581369
[4-(Furan-2-yl)-2-{[2-(thiophen-2-yl)ethyl]amino}-1,3-thiazol-5-yl](phenyl)methanone
CID 44581428
(4-(Furan-2-yl)-2-(3-phenylpropylamino)thiazol-5-yl)(phenyl)methanone
CID 44581429

Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide (CID 2115891) is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide is O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)C1CCC1.
What is the InChIKey of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The InChIKey is SJEWFQUOZVMLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c19-15(10-4-1-5-10)18-16-17-13(11-6-2-8-20-11)14(22-16)12-7-3-9-21-12/h2-3,6-10H,1,4-5H2,(H,17,18,19).
What are the key properties of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide has a molecular weight of 314.37 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 2115891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).