1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine

C22H25N3S — CID 28953660

IUPAC1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
SMILESc1ccc(-c2cccc(N3CCC(NCCc4cscn4)CC3)c2)cc1
InChIInChI=1S/C22H25N3S/c1-2-5-18(6-3-1)19-7-4-8-22(15-19)25-13-10-20(11-14-25)23-12-9-21-16-26-17-24-21/h1-8,15-17,20,23H,9-14H2
InChIKeyBMLCKYOBPRSGRB-UHFFFAOYSA-N
MW363.53 g/mol
LogP4.61
Rot. Bonds6

About 1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine

1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine (PubChem CID 28953660) has the molecular formula C22H25N3S and a molecular weight of 363.53 g/mol. Its IUPAC name is 1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
PubChem CID28953660
Molecular FormulaC22H25N3S
Molecular Weight363.53 g/mol
Exact Mass363.18
IUPAC Name1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
SMILESc1ccc(-c2cccc(N3CCC(NCCc4cscn4)CC3)c2)cc1
InChIInChI=1S/C22H25N3S/c1-2-5-18(6-3-1)19-7-4-8-22(15-19)25-13-10-20(11-14-25)23-12-9-21-16-26-17-24-21/h1-8,15-17,20,23H,9-14H2
InChIKeyBMLCKYOBPRSGRB-UHFFFAOYSA-N
XLogP4.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine (CID 28953660) is 1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine is c1ccc(-c2cccc(N3CCC(NCCc4cscn4)CC3)c2)cc1.
What is the InChIKey of 1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
The InChIKey is BMLCKYOBPRSGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3S/c1-2-5-18(6-3-1)19-7-4-8-22(15-19)25-13-10-20(11-14-25)23-12-9-21-16-26-17-24-21/h1-8,15-17,20,23H,9-14H2.
What are the key properties of 1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine has a molecular weight of 363.53 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 28953660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).