4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole

C19H17Cl2N3S — CID 1046820

IUPAC4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole
SMILESClc1ccc(-c2csc(N3CCN(c4ccc(Cl)cc4)CC3)n2)cc1
InChIInChI=1S/C19H17Cl2N3S/c20-15-3-1-14(2-4-15)18-13-25-19(22-18)24-11-9-23(10-12-24)17-7-5-16(21)6-8-17/h1-8,13H,9-12H2
InChIKeyMLTMOIOXWPFOJB-UHFFFAOYSA-N
MW390.34 g/mol
LogP5.44
Rot. Bonds3

About 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole

4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole (PubChem CID 1046820) has the molecular formula C19H17Cl2N3S and a molecular weight of 390.34 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole
PubChem CID1046820
Molecular FormulaC19H17Cl2N3S
Molecular Weight390.34 g/mol
Exact Mass389.05
IUPAC Name4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole
SMILESClc1ccc(-c2csc(N3CCN(c4ccc(Cl)cc4)CC3)n2)cc1
InChIInChI=1S/C19H17Cl2N3S/c20-15-3-1-14(2-4-15)18-13-25-19(22-18)24-11-9-23(10-12-24)17-7-5-16(21)6-8-17/h1-8,13H,9-12H2
InChIKeyMLTMOIOXWPFOJB-UHFFFAOYSA-N
XLogP5.44
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.34
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole (CID 1046820) is 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole is Clc1ccc(-c2csc(N3CCN(c4ccc(Cl)cc4)CC3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is MLTMOIOXWPFOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3S/c20-15-3-1-14(2-4-15)18-13-25-19(22-18)24-11-9-23(10-12-24)17-7-5-16(21)6-8-17/h1-8,13H,9-12H2.
What are the key properties of 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 390.34 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 1046820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).