2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone

C19H20N4O2S — CID 157330821

IUPAC2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
SMILESNc1ccc(-c2ccoc2)cc1CC(=O)c1cnc(N2CCNCC2)s1
InChIInChI=1S/C19H20N4O2S/c20-16-2-1-13(14-3-8-25-12-14)9-15(16)10-17(24)18-11-22-19(26-18)23-6-4-21-5-7-23/h1-3,8-9,11-12,21H,4-7,10,20H2
InChIKeyIKBOFUBJRZFZDU-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.82
Rot. Bonds5

About 2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone

2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 157330821) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
PubChem CID157330821
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
SMILESNc1ccc(-c2ccoc2)cc1CC(=O)c1cnc(N2CCNCC2)s1
InChIInChI=1S/C19H20N4O2S/c20-16-2-1-13(14-3-8-25-12-14)9-15(16)10-17(24)18-11-22-19(26-18)23-6-4-21-5-7-23/h1-3,8-9,11-12,21H,4-7,10,20H2
InChIKeyIKBOFUBJRZFZDU-UHFFFAOYSA-N
XLogP2.82
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone (CID 157330821) is 2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone is Nc1ccc(-c2ccoc2)cc1CC(=O)c1cnc(N2CCNCC2)s1.
What is the InChIKey of 2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is IKBOFUBJRZFZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c20-16-2-1-13(14-3-8-25-12-14)9-15(16)10-17(24)18-11-22-19(26-18)23-6-4-21-5-7-23/h1-3,8-9,11-12,21H,4-7,10,20H2.
What are the key properties of 2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?
2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 368.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 157330821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).