2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole

C17H25N3O2S3 — CID 50835167

IUPAC2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole
SMILESCCN1CCN(S(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)CC1
InChIInChI=1S/C17H25N3O2S3/c1-5-19-6-8-20(9-7-19)25(21,22)16-10-15(24-13(16)4)17-18-14(11-23-17)12(2)3/h10-12H,5-9H2,1-4H3
InChIKeyFEEIIIVGCOQCMH-UHFFFAOYSA-N
MW399.61 g/mol
LogP3.63
Rot. Bonds5

About 2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole

2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole (PubChem CID 50835167) has the molecular formula C17H25N3O2S3 and a molecular weight of 399.61 g/mol. Its IUPAC name is 2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole
PubChem CID50835167
Molecular FormulaC17H25N3O2S3
Molecular Weight399.61 g/mol
Exact Mass399.11
IUPAC Name2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole
SMILESCCN1CCN(S(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)CC1
InChIInChI=1S/C17H25N3O2S3/c1-5-19-6-8-20(9-7-19)25(21,22)16-10-15(24-13(16)4)17-18-14(11-23-17)12(2)3/h10-12H,5-9H2,1-4H3
InChIKeyFEEIIIVGCOQCMH-UHFFFAOYSA-N
XLogP3.63
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.61
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-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-[5-methyl-4-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole
CID 53039227
N-cyclohexyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835214
2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-4-methyl-1,3-thiazole
CID 50835831
[5-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 53133461
4-[[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 31111224
[1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 53007015
1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine
CID 60540170
2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole
CID 50843856
4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole
CID 50844074
1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 6469732
5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole
CID 53041556
1-ethyl-4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazine
CID 6464192

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole (CID 50835167) is 2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole is CCN1CCN(S(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)CC1.
What is the InChIKey of 2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is FEEIIIVGCOQCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S3/c1-5-19-6-8-20(9-7-19)25(21,22)16-10-15(24-13(16)4)17-18-14(11-23-17)12(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of 2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole?
2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 399.61 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 50835167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).