N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-1-amine

C22H25N3OS — CID 67654746

IUPACN-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-1-amine
SMILESCOc1ccc(-c2nccs2)cc1CNN1CCCCC1c1ccccc1
InChIInChI=1S/C22H25N3OS/c1-26-21-11-10-18(22-23-12-14-27-22)15-19(21)16-24-25-13-6-5-9-20(25)17-7-3-2-4-8-17/h2-4,7-8,10-12,14-15,20,24H,5-6,9,13,16H2,1H3
InChIKeyOYYGZQJNSVRXQE-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.05
Rot. Bonds6

About N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-1-amine

N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-1-amine (PubChem CID 67654746) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-1-amine.

Molecular Properties

Compound NameN-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-1-amine
PubChem CID67654746
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC NameN-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-1-amine
SMILESCOc1ccc(-c2nccs2)cc1CNN1CCCCC1c1ccccc1
InChIInChI=1S/C22H25N3OS/c1-26-21-11-10-18(22-23-12-14-27-22)15-19(21)16-24-25-13-6-5-9-20(25)17-7-3-2-4-8-17/h2-4,7-8,10-12,14-15,20,24H,5-6,9,13,16H2,1H3
InChIKeyOYYGZQJNSVRXQE-UHFFFAOYSA-N
XLogP5.05
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 9929728
4-(4-Methoxy-3-methylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 885223
(2S)-1-(methylamino)-3-[methyl-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]amino]propan-2-ol
CID 177382836
(2R)-1-(methylamino)-3-[methyl-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]amino]propan-2-ol
CID 177382837
N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 177642685
N,N'-dimethyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 177654760
N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 9907851
2-(4-Methoxy-phenyl)-thiazole
CID 11298449
(1R)-N-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-1-(4-methylphenyl)ethanamine
CID 60010644
2-(Cyclobutylamino)-2-[5-(2-fluoro-2-methylpropyl)-2-methoxyphenyl]-2-[4-(1,3-thiazol-2-yl)phenyl]ethanol
CID 68845422
2-[2-Piperidin-4-yloxy-5-(trifluoromethyl)phenyl]-1,3-thiazole
CID 135387997
N-[[2-methoxy-5-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 10157416

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-1-amine?
The IUPAC name of N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-1-amine (CID 67654746) is N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-1-amine.
What is the SMILES notation for N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-1-amine?
The canonical SMILES for N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-1-amine is COc1ccc(-c2nccs2)cc1CNN1CCCCC1c1ccccc1.
What is the InChIKey of N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-1-amine?
The InChIKey is OYYGZQJNSVRXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-26-21-11-10-18(22-23-12-14-27-22)15-19(21)16-24-25-13-6-5-9-20(25)17-7-3-2-4-8-17/h2-4,7-8,10-12,14-15,20,24H,5-6,9,13,16H2,1H3.
What are the key properties of N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-1-amine?
N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-1-amine has a molecular weight of 379.53 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-1-amine is sourced from PubChem (CID 67654746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).