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

C16H13N3O4S2 — CID 9206364

IUPACN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1
InChIInChI=1S/C16H13N3O4S2/c20-12(7-19-9-24-8-13(19)21)17-16-18-14(10-3-1-5-22-10)15(25-16)11-4-2-6-23-11/h1-6H,7-9H2,(H,17,18,20)
InChIKeyBKLOSRDSNLIQFL-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.13
Rot. Bonds5

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

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 9206364) has the molecular formula C16H13N3O4S2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID9206364
Molecular FormulaC16H13N3O4S2
Molecular Weight375.43 g/mol
Exact Mass375.03
IUPAC NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1
InChIInChI=1S/C16H13N3O4S2/c20-12(7-19-9-24-8-13(19)21)17-16-18-14(10-3-1-5-22-10)15(25-16)11-4-2-6-23-11/h1-6H,7-9H2,(H,17,18,20)
InChIKeyBKLOSRDSNLIQFL-UHFFFAOYSA-N
XLogP3.13
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2998894
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
(4-(Furan-2-yl)-2-(furan-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone
CID 25211167
(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
2-Amino-5-(2-furanyl)-4-[2-(5-phosphono)furanyl]thiazole
CID 50992650
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 2115891
N-[bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 2385998
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 7998465

Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 9206364) is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CSCC1=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1.
What is the InChIKey of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is BKLOSRDSNLIQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S2/c20-12(7-19-9-24-8-13(19)21)17-16-18-14(10-3-1-5-22-10)15(25-16)11-4-2-6-23-11/h1-6H,7-9H2,(H,17,18,20).
What are the key properties of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 9206364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).