1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone

C17H16ClN3O4S3 — CID 24680234

IUPAC1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESO=C(Cc1csc(-c2ccco2)n1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C17H16ClN3O4S3/c18-14-3-4-16(27-14)28(23,24)21-7-5-20(6-8-21)15(22)10-12-11-26-17(19-12)13-2-1-9-25-13/h1-4,9,11H,5-8,10H2
InChIKeyMWGXVCPCJMTULW-UHFFFAOYSA-N
MW457.99 g/mol
LogP3.19
Rot. Bonds5

About 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone

1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 24680234) has the molecular formula C17H16ClN3O4S3 and a molecular weight of 457.99 g/mol. Its IUPAC name is 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID24680234
Molecular FormulaC17H16ClN3O4S3
Molecular Weight457.99 g/mol
Exact Mass457.00
IUPAC Name1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESO=C(Cc1csc(-c2ccco2)n1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C17H16ClN3O4S3/c18-14-3-4-16(27-14)28(23,24)21-7-5-20(6-8-21)15(22)10-12-11-26-17(19-12)13-2-1-9-25-13/h1-4,9,11H,5-8,10H2
InChIKeyMWGXVCPCJMTULW-UHFFFAOYSA-N
XLogP3.19
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.99
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone 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

1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 55542892
2-(4-fluorophenyl)-1-[4-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]ethanone
CID 46441757
1-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-1,4-diazepan-5-one
CID 62045731
N-cyclopropyl-2-[4-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]-2-oxoacetamide
CID 55799986
2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 18273497
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 24664167
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 51648897
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 38987881
(E)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 6215258
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 37278092
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801006

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone (CID 24680234) is 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone is O=C(Cc1csc(-c2ccco2)n1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is MWGXVCPCJMTULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S3/c18-14-3-4-16(27-14)28(23,24)21-7-5-20(6-8-21)15(22)10-12-11-26-17(19-12)13-2-1-9-25-13/h1-4,9,11H,5-8,10H2.
What are the key properties of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone?
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 457.99 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 24680234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).