(2-methylphenyl)-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone

C21H23N3O3S3 — CID 11167116

IUPAC(2-methylphenyl)-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone
SMILESCc1ccccc1C(=O)c1cnc(NCC2CCN(S(=O)(=O)c3cccs3)CC2)s1
InChIInChI=1S/C21H23N3O3S3/c1-15-5-2-3-6-17(15)20(25)18-14-23-21(29-18)22-13-16-8-10-24(11-9-16)30(26,27)19-7-4-12-28-19/h2-7,12,14,16H,8-11,13H2,1H3,(H,22,23)
InChIKeyRNSRQOAAKVEYJS-UHFFFAOYSA-N
MW461.63 g/mol
LogP4.26
Rot. Bonds7

About (2-methylphenyl)-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone

(2-methylphenyl)-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone (PubChem CID 11167116) has the molecular formula C21H23N3O3S3 and a molecular weight of 461.63 g/mol. Its IUPAC name is (2-methylphenyl)-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone
PubChem CID11167116
Molecular FormulaC21H23N3O3S3
Molecular Weight461.63 g/mol
Exact Mass461.09
IUPAC Name(2-methylphenyl)-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone
SMILESCc1ccccc1C(=O)c1cnc(NCC2CCN(S(=O)(=O)c3cccs3)CC2)s1
InChIInChI=1S/C21H23N3O3S3/c1-15-5-2-3-6-17(15)20(25)18-14-23-21(29-18)22-13-16-8-10-24(11-9-16)30(26,27)19-7-4-12-28-19/h2-7,12,14,16H,8-11,13H2,1H3,(H,22,23)
InChIKeyRNSRQOAAKVEYJS-UHFFFAOYSA-N
XLogP4.26
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2-methylphenyl)-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone with MolForge

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Related Compounds

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
(2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone
CID 11329001
3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl cyclohexanecarboxylate
CID 174464186
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide
CID 51188882
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
2-phenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108560111
N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
CID 131702793
N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27511485
1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea
CID 110823258
2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 110823252

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone?
The IUPAC name of (2-methylphenyl)-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone (CID 11167116) is (2-methylphenyl)-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone is Cc1ccccc1C(=O)c1cnc(NCC2CCN(S(=O)(=O)c3cccs3)CC2)s1.
What is the InChIKey of (2-methylphenyl)-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone?
The InChIKey is RNSRQOAAKVEYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S3/c1-15-5-2-3-6-17(15)20(25)18-14-23-21(29-18)22-13-16-8-10-24(11-9-16)30(26,27)19-7-4-12-28-19/h2-7,12,14,16H,8-11,13H2,1H3,(H,22,23).
What are the key properties of (2-methylphenyl)-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone?
(2-methylphenyl)-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone has a molecular weight of 461.63 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 11167116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).