(2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

C18H19N3O2S2 — CID 71811046

IUPAC(2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3nc(-c4ccsc4)cs3)CC2)c(C)o1
InChIInChI=1S/C18H19N3O2S2/c1-12-9-15(13(2)23-12)17(22)20-4-6-21(7-5-20)18-19-16(11-25-18)14-3-8-24-10-14/h3,8-11H,4-7H2,1-2H3
InChIKeyVEWHOVYZJBCFNV-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.04
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 71811046) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID71811046
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3nc(-c4ccsc4)cs3)CC2)c(C)o1
InChIInChI=1S/C18H19N3O2S2/c1-12-9-15(13(2)23-12)17(22)20-4-6-21(7-5-20)18-19-16(11-25-18)14-3-8-24-10-14/h3,8-11H,4-7H2,1-2H3
InChIKeyVEWHOVYZJBCFNV-UHFFFAOYSA-N
XLogP4.04
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

methyl 4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]benzoate
CID 71811056
1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 90601680
(E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one
CID 71811050
[3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 90601690
[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 43983010
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 90601675
2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 90601687
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 24981685
2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole
CID 71811083
(4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 45076516
1-[4-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 25332880

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 71811046) is (2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(c3nc(-c4ccsc4)cs3)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is VEWHOVYZJBCFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-12-9-15(13(2)23-12)17(22)20-4-6-21(7-5-20)18-19-16(11-25-18)14-3-8-24-10-14/h3,8-11H,4-7H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 373.50 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 71811046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).