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

C16H18Cl3N3S — CID 118190162

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
SMILESClc1ncc(CN2CCC(NCc3ccc(Cl)c(Cl)c3)CC2)s1
InChIInChI=1S/C16H18Cl3N3S/c17-14-2-1-11(7-15(14)18)8-20-12-3-5-22(6-4-12)10-13-9-21-16(19)23-13/h1-2,7,9,12,20H,3-6,8,10H2
InChIKeyRUBUEPQYHATJME-UHFFFAOYSA-N
MW390.77 g/mol
LogP4.86
Rot. Bonds5

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

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine (PubChem CID 118190162) has the molecular formula C16H18Cl3N3S and a molecular weight of 390.77 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
PubChem CID118190162
Molecular FormulaC16H18Cl3N3S
Molecular Weight390.77 g/mol
Exact Mass389.03
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
SMILESClc1ncc(CN2CCC(NCc3ccc(Cl)c(Cl)c3)CC2)s1
InChIInChI=1S/C16H18Cl3N3S/c17-14-2-1-11(7-15(14)18)8-20-12-3-5-22(6-4-12)10-13-9-21-16(19)23-13/h1-2,7,9,12,20H,3-6,8,10H2
InChIKeyRUBUEPQYHATJME-UHFFFAOYSA-N
XLogP4.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.77
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine (CID 118190162) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine is Clc1ncc(CN2CCC(NCc3ccc(Cl)c(Cl)c3)CC2)s1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine?
The InChIKey is RUBUEPQYHATJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl3N3S/c17-14-2-1-11(7-15(14)18)8-20-12-3-5-22(6-4-12)10-13-9-21-16(19)23-13/h1-2,7,9,12,20H,3-6,8,10H2.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine has a molecular weight of 390.77 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 118190162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).