2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine

C23H23N3OS — CID 21220851

IUPAC2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine
SMILESc1ccc(C2NCCCC2NCc2cc(-c3nccs3)cc3ccoc23)cc1
InChIInChI=1S/C23H23N3OS/c1-2-5-16(6-3-1)21-20(7-4-9-24-21)26-15-19-14-18(23-25-10-12-28-23)13-17-8-11-27-22(17)19/h1-3,5-6,8,10-14,20-21,24,26H,4,7,9,15H2
InChIKeyGJGMTYGQTQTERG-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.14
Rot. Bonds5

About 2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine

2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine (PubChem CID 21220851) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine
PubChem CID21220851
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC Name2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine
SMILESc1ccc(C2NCCCC2NCc2cc(-c3nccs3)cc3ccoc23)cc1
InChIInChI=1S/C23H23N3OS/c1-2-5-16(6-3-1)21-20(7-4-9-24-21)26-15-19-14-18(23-25-10-12-28-23)13-17-8-11-27-22(17)19/h1-3,5-6,8,10-14,20-21,24,26H,4,7,9,15H2
InChIKeyGJGMTYGQTQTERG-UHFFFAOYSA-N
XLogP5.14
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine with MolForge

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Related Compounds

(2R,3R)-2-phenyl-N-[(5-pyridin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine
CID 54192151
(2S,3S)-2-phenyl-N-[(5-pyridin-4-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine;trihydrochloride
CID 139981731
(2S,3S)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine
CID 70107326
2-phenyl-N-[(5-pyrimidin-5-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine
CID 21220946
(2R,3R)-2-phenyl-N-[(5-pyrazin-2-yl-1-benzofuran-7-yl)methyl]piperidin-3-amine;dihydrochloride
CID 70107730
N-[[5-(furan-3-yl)-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-3-amine
CID 21220897
(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67618693
(2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride
CID 67619110
(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
CID 54529861
2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol
CID 11695097
(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429
(2S,3S)-N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
CID 11793012

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine?
The IUPAC name of 2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine (CID 21220851) is 2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine.
What is the SMILES notation for 2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine?
The canonical SMILES for 2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine is c1ccc(C2NCCCC2NCc2cc(-c3nccs3)cc3ccoc23)cc1.
What is the InChIKey of 2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine?
The InChIKey is GJGMTYGQTQTERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-2-5-16(6-3-1)21-20(7-4-9-24-21)26-15-19-14-18(23-25-10-12-28-23)13-17-8-11-27-22(17)19/h1-3,5-6,8,10-14,20-21,24,26H,4,7,9,15H2.
What are the key properties of 2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine?
2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine has a molecular weight of 389.52 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[5-(1,3-thiazol-2-yl)-1-benzofuran-7-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 21220851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).