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

C15H18ClN3S — CID 43556502

IUPAC1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2csc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C15H18ClN3S/c16-14-4-2-1-3-13(14)15-18-12(10-20-15)9-19-7-5-11(17)6-8-19/h1-4,10-11H,5-9,17H2
InChIKeyHHPDIIQOJYVHCO-UHFFFAOYSA-N
MW307.85 g/mol
LogP3.39
Rot. Bonds3

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

1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine (PubChem CID 43556502) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
PubChem CID43556502
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2csc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C15H18ClN3S/c16-14-4-2-1-3-13(14)15-18-12(10-20-15)9-19-7-5-11(17)6-8-19/h1-4,10-11H,5-9,17H2
InChIKeyHHPDIIQOJYVHCO-UHFFFAOYSA-N
XLogP3.39
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 22197700
4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 6465501
1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 115969326
1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115966903
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol
CID 80703333
2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole
CID 22198040
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119411051
4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22194703
N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119476448
4-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 22195641
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
4-[[4-(chloromethyl)triazol-1-yl]methyl]-2-(2-chlorophenyl)-1,3-thiazole
CID 62400080

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine (CID 43556502) is 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine is NC1CCN(Cc2csc(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine?
The InChIKey is HHPDIIQOJYVHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c16-14-4-2-1-3-13(14)15-18-12(10-20-15)9-19-7-5-11(17)6-8-19/h1-4,10-11H,5-9,17H2.
What are the key properties of 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine?
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine has a molecular weight of 307.85 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 43556502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).