furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone

C17H15N3O4S — CID 38909287

IUPACfuran-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1csc(-c2ccco2)n1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H15N3O4S/c21-16(12-11-25-15(18-12)13-3-1-9-23-13)19-5-7-20(8-6-19)17(22)14-4-2-10-24-14/h1-4,9-11H,5-8H2
InChIKeyPYYDUWYFINRETD-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.59
Rot. Bonds3

About furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone

furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone (PubChem CID 38909287) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
PubChem CID38909287
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Namefuran-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1csc(-c2ccco2)n1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H15N3O4S/c21-16(12-11-25-15(18-12)13-3-1-9-23-13)19-5-7-20(8-6-19)17(22)14-4-2-10-24-14/h1-4,9-11H,5-8H2
InChIKeyPYYDUWYFINRETD-UHFFFAOYSA-N
XLogP2.59
TPSA79.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 36708538
furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 34470311
[2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82515785
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759229
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36708255
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 47024879
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38299335
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 56811264
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
CID 36703236
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(3-phenoxypyrrolidin-1-yl)methanone
CID 56790806
(2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
CID 87032302
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 75375290

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone (CID 38909287) is furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone is O=C(c1csc(-c2ccco2)n1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone?
The InChIKey is PYYDUWYFINRETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c21-16(12-11-25-15(18-12)13-3-1-9-23-13)19-5-7-20(8-6-19)17(22)14-4-2-10-24-14/h1-4,9-11H,5-8H2.
What are the key properties of furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone has a molecular weight of 357.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 38909287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).