furan-2-yl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone

C17H17N3O2S2 — CID 30860620

IUPACfuran-2-yl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C17H17N3O2S2/c21-17(14-3-1-9-22-14)20-7-5-19(6-8-20)11-16-18-13(12-24-16)15-4-2-10-23-15/h1-4,9-10,12H,5-8,11H2
InChIKeyHCFPAXMPORJETN-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.42
Rot. Bonds4

About furan-2-yl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 30860620) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is furan-2-yl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID30860620
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Namefuran-2-yl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C17H17N3O2S2/c21-17(14-3-1-9-22-14)20-7-5-19(6-8-20)11-16-18-13(12-24-16)15-4-2-10-23-15/h1-4,9-10,12H,5-8,11H2
InChIKeyHCFPAXMPORJETN-UHFFFAOYSA-N
XLogP3.42
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone (CID 30860620) is furan-2-yl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1.
What is the InChIKey of furan-2-yl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is HCFPAXMPORJETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c21-17(14-3-1-9-22-14)20-7-5-19(6-8-20)11-16-18-13(12-24-16)15-4-2-10-23-15/h1-4,9-10,12H,5-8,11H2.
What are the key properties of furan-2-yl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 359.48 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 30860620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).