(2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone

C22H25N3O3S3 — CID 11329001

IUPAC(2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone
SMILESCc1ccccc1C(=O)c1cnc(NCCC2CCCCN2S(=O)(=O)c2ccsc2)s1
InChIInChI=1S/C22H25N3O3S3/c1-16-6-2-3-8-19(16)21(26)20-14-24-22(30-20)23-11-9-17-7-4-5-12-25(17)31(27,28)18-10-13-29-15-18/h2-3,6,8,10,13-15,17H,4-5,7,9,11-12H2,1H3,(H,23,24)
InChIKeyJELCNYAEYOBFSY-UHFFFAOYSA-N
MW475.66 g/mol
LogP4.79
Rot. Bonds8

About (2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone

(2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone (PubChem CID 11329001) has the molecular formula C22H25N3O3S3 and a molecular weight of 475.66 g/mol. Its IUPAC name is (2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone
PubChem CID11329001
Molecular FormulaC22H25N3O3S3
Molecular Weight475.66 g/mol
Exact Mass475.11
IUPAC Name(2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone
SMILESCc1ccccc1C(=O)c1cnc(NCCC2CCCCN2S(=O)(=O)c2ccsc2)s1
InChIInChI=1S/C22H25N3O3S3/c1-16-6-2-3-8-19(16)21(26)20-14-24-22(30-20)23-11-9-17-7-4-5-12-25(17)31(27,28)18-10-13-29-15-18/h2-3,6,8,10,13-15,17H,4-5,7,9,11-12H2,1H3,(H,23,24)
InChIKeyJELCNYAEYOBFSY-UHFFFAOYSA-N
XLogP4.79
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.66
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone 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

5-(2-methylphenyl)-N-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethyl]-1,3-thiazol-2-amine
CID 173173836
3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl cyclohexanecarboxylate
CID 174464186
1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea
CID 23442545
N,N-dimethyl-4-[[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]methyl]piperidine-1-sulfonamide
CID 11223972
(2-methylphenyl)-[2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]methanone
CID 11295647
4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid
CID 91131674
5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide
CID 23442503
3-fluoro-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 23442586
N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 27242370
N-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide
CID 70783277
N-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine
CID 103415164
1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea
CID 23442678

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone?
The IUPAC name of (2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone (CID 11329001) is (2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone is Cc1ccccc1C(=O)c1cnc(NCCC2CCCCN2S(=O)(=O)c2ccsc2)s1.
What is the InChIKey of (2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone?
The InChIKey is JELCNYAEYOBFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S3/c1-16-6-2-3-8-19(16)21(26)20-14-24-22(30-20)23-11-9-17-7-4-5-12-25(17)31(27,28)18-10-13-29-15-18/h2-3,6,8,10,13-15,17H,4-5,7,9,11-12H2,1H3,(H,23,24).
What are the key properties of (2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone?
(2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone has a molecular weight of 475.66 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 11329001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).