4-(4-chlorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole

C14H16ClN3S — CID 28750262

IUPAC4-(4-chlorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESClc1ccc(-c2csc(CN3CCNCC3)n2)cc1
InChIInChI=1S/C14H16ClN3S/c15-12-3-1-11(2-4-12)13-10-19-14(17-13)9-18-7-5-16-6-8-18/h1-4,10,16H,5-9H2
InChIKeyIGZCJKHGXSLOFX-UHFFFAOYSA-N
MW293.82 g/mol
LogP2.87
Rot. Bonds3

About 4-(4-chlorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole

4-(4-chlorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole (PubChem CID 28750262) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
PubChem CID28750262
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name4-(4-chlorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESClc1ccc(-c2csc(CN3CCNCC3)n2)cc1
InChIInChI=1S/C14H16ClN3S/c15-12-3-1-11(2-4-12)13-10-19-14(17-13)9-18-7-5-16-6-8-18/h1-4,10,16H,5-9H2
InChIKeyIGZCJKHGXSLOFX-UHFFFAOYSA-N
XLogP2.87
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole (CID 28750262) is 4-(4-chlorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole is Clc1ccc(-c2csc(CN3CCNCC3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
The InChIKey is IGZCJKHGXSLOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c15-12-3-1-11(2-4-12)13-10-19-14(17-13)9-18-7-5-16-6-8-18/h1-4,10,16H,5-9H2.
What are the key properties of 4-(4-chlorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
4-(4-chlorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole has a molecular weight of 293.82 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 28750262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).