1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine

C22H24ClN3S — CID 53271614

IUPAC1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine
SMILESClc1cccc(-c2cnc(CNC3CCN(Cc4ccccc4)CC3)s2)c1
InChIInChI=1S/C22H24ClN3S/c23-19-8-4-7-18(13-19)21-14-25-22(27-21)15-24-20-9-11-26(12-10-20)16-17-5-2-1-3-6-17/h1-8,13-14,20,24H,9-12,15-16H2
InChIKeyYIQXFEOGXANPEX-UHFFFAOYSA-N
MW397.98 g/mol
LogP5.22
Rot. Bonds6

About 1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine

1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine (PubChem CID 53271614) has the molecular formula C22H24ClN3S and a molecular weight of 397.98 g/mol. Its IUPAC name is 1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine
PubChem CID53271614
Molecular FormulaC22H24ClN3S
Molecular Weight397.98 g/mol
Exact Mass397.14
IUPAC Name1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine
SMILESClc1cccc(-c2cnc(CNC3CCN(Cc4ccccc4)CC3)s2)c1
InChIInChI=1S/C22H24ClN3S/c23-19-8-4-7-18(13-19)21-14-25-22(27-21)15-24-20-9-11-26(12-10-20)16-17-5-2-1-3-6-17/h1-8,13-14,20,24H,9-12,15-16H2
InChIKeyYIQXFEOGXANPEX-UHFFFAOYSA-N
XLogP5.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.98
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53271603
1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 53272644
1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine
CID 53273477
N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53273092
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine
CID 29275585
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53272487
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 53271475
1-benzyl-N-[(4-phenylphenyl)methyl]azepan-4-amine;ethane
CID 142128621
1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 62538948
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine (CID 53271614) is 1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine is Clc1cccc(-c2cnc(CNC3CCN(Cc4ccccc4)CC3)s2)c1.
What is the InChIKey of 1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine?
The InChIKey is YIQXFEOGXANPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3S/c23-19-8-4-7-18(13-19)21-14-25-22(27-21)15-24-20-9-11-26(12-10-20)16-17-5-2-1-3-6-17/h1-8,13-14,20,24H,9-12,15-16H2.
What are the key properties of 1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine?
1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine has a molecular weight of 397.98 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 53271614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).