4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole

C16H17ClF3N3O2S2 — CID 17437872

IUPAC4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cs1
InChIInChI=1S/C16H17ClF3N3O2S2/c1-11-21-12(10-26-11)9-22-4-6-23(7-5-22)27(24,25)13-2-3-15(17)14(8-13)16(18,19)20/h2-3,8,10H,4-7,9H2,1H3
InChIKeyOREMIBZTOYIBAC-UHFFFAOYSA-N
MW439.91 g/mol
LogP3.63
Rot. Bonds4

About 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 17437872) has the molecular formula C16H17ClF3N3O2S2 and a molecular weight of 439.91 g/mol. Its IUPAC name is 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID17437872
Molecular FormulaC16H17ClF3N3O2S2
Molecular Weight439.91 g/mol
Exact Mass439.04
IUPAC Name4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cs1
InChIInChI=1S/C16H17ClF3N3O2S2/c1-11-21-12(10-26-11)9-22-4-6-23(7-5-22)27(24,25)13-2-3-15(17)14(8-13)16(18,19)20/h2-3,8,10H,4-7,9H2,1H3
InChIKeyOREMIBZTOYIBAC-UHFFFAOYSA-N
XLogP3.63
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.91
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 17437872) is 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cs1.
What is the InChIKey of 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is OREMIBZTOYIBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF3N3O2S2/c1-11-21-12(10-26-11)9-22-4-6-23(7-5-22)27(24,25)13-2-3-15(17)14(8-13)16(18,19)20/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 439.91 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 17437872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).