2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-4-methyl-1,3-thiazole

C15H17F2N3O2S2 — CID 60503990

IUPAC2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(N2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)n1
InChIInChI=1S/C15H17F2N3O2S2/c1-11-10-23-15(18-11)20-8-6-19(7-9-20)12-2-4-13(5-3-12)24(21,22)14(16)17/h2-5,10,14H,6-9H2,1H3
InChIKeyXFCCABFCESJXOQ-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.77
Rot. Bonds4

About 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-4-methyl-1,3-thiazole

2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-4-methyl-1,3-thiazole (PubChem CID 60503990) has the molecular formula C15H17F2N3O2S2 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-4-methyl-1,3-thiazole
PubChem CID60503990
Molecular FormulaC15H17F2N3O2S2
Molecular Weight373.45 g/mol
Exact Mass373.07
IUPAC Name2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(N2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)n1
InChIInChI=1S/C15H17F2N3O2S2/c1-11-10-23-15(18-11)20-8-6-19(7-9-20)12-2-4-13(5-3-12)24(21,22)14(16)17/h2-5,10,14H,6-9H2,1H3
InChIKeyXFCCABFCESJXOQ-UHFFFAOYSA-N
XLogP2.77
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-4-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 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-4-methyl-1,3-thiazole (CID 60503990) is 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-4-methyl-1,3-thiazole is Cc1csc(N2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)n1.
What is the InChIKey of 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-4-methyl-1,3-thiazole?
The InChIKey is XFCCABFCESJXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2S2/c1-11-10-23-15(18-11)20-8-6-19(7-9-20)12-2-4-13(5-3-12)24(21,22)14(16)17/h2-5,10,14H,6-9H2,1H3.
What are the key properties of 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-4-methyl-1,3-thiazole?
2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-4-methyl-1,3-thiazole has a molecular weight of 373.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 60503990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).