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

C18H18FN3O2S3 — CID 16645718

IUPAC4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cs1
InChIInChI=1S/C18H18FN3O2S3/c1-13-20-16(12-25-13)17-6-7-18(26-17)27(23,24)22-10-8-21(9-11-22)15-4-2-14(19)3-5-15/h2-7,12H,8-11H2,1H3
InChIKeyAMEKBDVEVARDGU-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.83
Rot. Bonds4

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

4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole (PubChem CID 16645718) has the molecular formula C18H18FN3O2S3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole
PubChem CID16645718
Molecular FormulaC18H18FN3O2S3
Molecular Weight423.56 g/mol
Exact Mass423.05
IUPAC Name4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cs1
InChIInChI=1S/C18H18FN3O2S3/c1-13-20-16(12-25-13)17-6-7-18(26-17)27(23,24)22-10-8-21(9-11-22)15-4-2-14(19)3-5-15/h2-7,12H,8-11H2,1H3
InChIKeyAMEKBDVEVARDGU-UHFFFAOYSA-N
XLogP3.83
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophen-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-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole
CID 558856
4-{[2-(2-Thienyl)-1,3-thiazol-4-yl]methyl}-1lambda~6~,4-thiazinane-1,1-dione
CID 2738462
N,N-Diethyl-5-(2-methyl-4-thiazolyl)-2-thiophenesulfonamide
CID 2795581
5-[4-(2,6-Difluorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2-methyl-1,3-benzothiazole
CID 46179883
2-Methyl-6-(piperidine-1-sulfonyl)-benzothiazole
CID 1075675
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2738759
3-(1,3-Benzothiazol-2-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 2079871
4-(1,3-Benzothiazol-2-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one
CID 2080513
1-{[5-(2-Methyl-1,3-thiazol-4-yl)-2-thienyl]sulfonyl}-4-phenethylpiperazine
CID 2810366
N2-(2-pyridylmethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 2795736
2-(Methylthio)-5-(1-piperidinylsulfonyl)-1,3-benzothiazole
CID 277465
2-[4-(4-Cyclohexylpiperazin-1-yl)butylsulfanyl]-6-fluoro-1,3-benzothiazole
CID 58511964

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole (CID 16645718) is 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole is Cc1nc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cs1.
What is the InChIKey of 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole?
The InChIKey is AMEKBDVEVARDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S3/c1-13-20-16(12-25-13)17-6-7-18(26-17)27(23,24)22-10-8-21(9-11-22)15-4-2-14(19)3-5-15/h2-7,12H,8-11H2,1H3.
What are the key properties of 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole?
4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole has a molecular weight of 423.56 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 16645718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).