N-(1-benzylpiperidin-4-yl)-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine

C27H25Cl2N3S — CID 155563905

IUPACN-(1-benzylpiperidin-4-yl)-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2nc(NC3CCN(Cc4ccccc4)CC3)sc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H25Cl2N3S/c28-22-10-6-20(7-11-22)25-26(21-8-12-23(29)13-9-21)33-27(31-25)30-24-14-16-32(17-15-24)18-19-4-2-1-3-5-19/h1-13,24H,14-18H2,(H,30,31)
InChIKeySWXGPRWGTHKINF-UHFFFAOYSA-N
MW494.49 g/mol
LogP7.86
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine

N-(1-benzylpiperidin-4-yl)-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine (PubChem CID 155563905) has the molecular formula C27H25Cl2N3S and a molecular weight of 494.49 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine
PubChem CID155563905
Molecular FormulaC27H25Cl2N3S
Molecular Weight494.49 g/mol
Exact Mass493.11
IUPAC NameN-(1-benzylpiperidin-4-yl)-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2nc(NC3CCN(Cc4ccccc4)CC3)sc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H25Cl2N3S/c28-22-10-6-20(7-11-22)25-26(21-8-12-23(29)13-9-21)33-27(31-25)30-24-14-16-32(17-15-24)18-19-4-2-1-3-5-19/h1-13,24H,14-18H2,(H,30,31)
InChIKeySWXGPRWGTHKINF-UHFFFAOYSA-N
XLogP7.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.49
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine (CID 155563905) is N-(1-benzylpiperidin-4-yl)-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine is Clc1ccc(-c2nc(NC3CCN(Cc4ccccc4)CC3)sc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is SWXGPRWGTHKINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N3S/c28-22-10-6-20(7-11-22)25-26(21-8-12-23(29)13-9-21)33-27(31-25)30-24-14-16-32(17-15-24)18-19-4-2-1-3-5-19/h1-13,24H,14-18H2,(H,30,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine?
N-(1-benzylpiperidin-4-yl)-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 494.49 g/mol, XLogP of 7.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 155563905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).