4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole

C19H18ClN3S — CID 1241189

IUPAC4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole
SMILESClc1ccc(-c2csc(N3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C19H18ClN3S/c20-16-8-6-15(7-9-16)18-14-24-19(21-18)23-12-10-22(11-13-23)17-4-2-1-3-5-17/h1-9,14H,10-13H2
InChIKeyLRFGGDVOFSSHGO-UHFFFAOYSA-N
MW355.89 g/mol
LogP4.79
Rot. Bonds3

About 4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole

4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole (PubChem CID 1241189) has the molecular formula C19H18ClN3S and a molecular weight of 355.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole
PubChem CID1241189
Molecular FormulaC19H18ClN3S
Molecular Weight355.89 g/mol
Exact Mass355.09
IUPAC Name4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole
SMILESClc1ccc(-c2csc(N3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C19H18ClN3S/c20-16-8-6-15(7-9-16)18-14-24-19(21-18)23-12-10-22(11-13-23)17-4-2-1-3-5-17/h1-9,14H,10-13H2
InChIKeyLRFGGDVOFSSHGO-UHFFFAOYSA-N
XLogP4.79
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 54.79
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-phenylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole (CID 1241189) is 4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole is Clc1ccc(-c2csc(N3CCN(c4ccccc4)CC3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is LRFGGDVOFSSHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3S/c20-16-8-6-15(7-9-16)18-14-24-19(21-18)23-12-10-22(11-13-23)17-4-2-1-3-5-17/h1-9,14H,10-13H2.
What are the key properties of 4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole?
4-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 355.89 g/mol, XLogP of 4.79, 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-phenylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 1241189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).