1-benzyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine

C22H25N3S — CID 12050200

IUPAC1-benzyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
SMILESc1ccc(CN2CCC(NCc3csc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C22H25N3S/c1-3-7-18(8-4-1)16-25-13-11-20(12-14-25)23-15-21-17-26-22(24-21)19-9-5-2-6-10-19/h1-10,17,20,23H,11-16H2
InChIKeyLDOTVWGSWWUMAW-UHFFFAOYSA-N
MW363.53 g/mol
LogP4.56
Rot. Bonds6

About 1-benzyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine

1-benzyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine (PubChem CID 12050200) has the molecular formula C22H25N3S and a molecular weight of 363.53 g/mol. Its IUPAC name is 1-benzyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
PubChem CID12050200
Molecular FormulaC22H25N3S
Molecular Weight363.53 g/mol
Exact Mass363.18
IUPAC Name1-benzyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
SMILESc1ccc(CN2CCC(NCc3csc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C22H25N3S/c1-3-7-18(8-4-1)16-25-13-11-20(12-14-25)23-15-21-17-26-22(24-21)19-9-5-2-6-10-19/h1-10,17,20,23H,11-16H2
InChIKeyLDOTVWGSWWUMAW-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine (CID 12050200) is 1-benzyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine is c1ccc(CN2CCC(NCc3csc(-c4ccccc4)n3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is LDOTVWGSWWUMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3S/c1-3-7-18(8-4-1)16-25-13-11-20(12-14-25)23-15-21-17-26-22(24-21)19-9-5-2-6-10-19/h1-10,17,20,23H,11-16H2.
What are the key properties of 1-benzyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
1-benzyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 363.53 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 12050200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).