4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole

C19H20FN3O2S3 — CID 50844074

IUPAC4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c(C)s2)cs1
InChIInChI=1S/C19H20FN3O2S3/c1-13-19(11-18(27-13)16-12-26-14(2)21-16)28(24,25)23-9-7-22(8-10-23)17-6-4-3-5-15(17)20/h3-6,11-12H,7-10H2,1-2H3
InChIKeyRNLULLXWFMFWDN-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.14
Rot. Bonds4

About 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole

4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole (PubChem CID 50844074) has the molecular formula C19H20FN3O2S3 and a molecular weight of 437.59 g/mol. Its IUPAC name is 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole
PubChem CID50844074
Molecular FormulaC19H20FN3O2S3
Molecular Weight437.59 g/mol
Exact Mass437.07
IUPAC Name4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c(C)s2)cs1
InChIInChI=1S/C19H20FN3O2S3/c1-13-19(11-18(27-13)16-12-26-14(2)21-16)28(24,25)23-9-7-22(8-10-23)17-6-4-3-5-15(17)20/h3-6,11-12H,7-10H2,1-2H3
InChIKeyRNLULLXWFMFWDN-UHFFFAOYSA-N
XLogP4.14
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-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

Related Compounds

2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole
CID 50843856
4-[4-ethoxy-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-thiazole
CID 53117991
2-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-4,5-dimethyl-1,3-thiazole
CID 50835019
2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole
CID 20974218
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole
CID 53117882
5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50821719
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole
CID 53117960
5-ethyl-3-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole
CID 53041558
2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-4-methyl-1,3-thiazole
CID 50835831
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 110332735
5-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822109

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole (CID 50844074) is 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole is Cc1nc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c(C)s2)cs1.
What is the InChIKey of 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole?
The InChIKey is RNLULLXWFMFWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S3/c1-13-19(11-18(27-13)16-12-26-14(2)21-16)28(24,25)23-9-7-22(8-10-23)17-6-4-3-5-15(17)20/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole?
4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole has a molecular weight of 437.59 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 50844074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).