5-(2-methylphenyl)-N-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethyl]-1,3-thiazol-2-amine

C21H25N3O2S3 — CID 173173836

IUPAC5-(2-methylphenyl)-N-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethyl]-1,3-thiazol-2-amine
SMILESCc1ccccc1-c1cnc(NCCC2CCCCN2S(=O)(=O)c2ccsc2)s1
InChIInChI=1S/C21H25N3O2S3/c1-16-6-2-3-8-19(16)20-14-23-21(28-20)22-11-9-17-7-4-5-12-24(17)29(25,26)18-10-13-27-15-18/h2-3,6,8,10,13-15,17H,4-5,7,9,11-12H2,1H3,(H,22,23)
InChIKeyCJISLFJJNSKJJO-UHFFFAOYSA-N
MW447.65 g/mol
LogP5.23
Rot. Bonds7

About 5-(2-methylphenyl)-N-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethyl]-1,3-thiazol-2-amine

5-(2-methylphenyl)-N-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 173173836) has the molecular formula C21H25N3O2S3 and a molecular weight of 447.65 g/mol. Its IUPAC name is 5-(2-methylphenyl)-N-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylphenyl)-N-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID173173836
Molecular FormulaC21H25N3O2S3
Molecular Weight447.65 g/mol
Exact Mass447.11
IUPAC Name5-(2-methylphenyl)-N-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethyl]-1,3-thiazol-2-amine
SMILESCc1ccccc1-c1cnc(NCCC2CCCCN2S(=O)(=O)c2ccsc2)s1
InChIInChI=1S/C21H25N3O2S3/c1-16-6-2-3-8-19(16)20-14-23-21(28-20)22-11-9-17-7-4-5-12-24(17)29(25,26)18-10-13-27-15-18/h2-3,6,8,10,13-15,17H,4-5,7,9,11-12H2,1H3,(H,22,23)
InChIKeyCJISLFJJNSKJJO-UHFFFAOYSA-N
XLogP5.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.65
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone
CID 11329001
N-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine
CID 103415164
N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-methylphenyl)oxamide
CID 41196258
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-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2,6-dimethylphenyl)oxamide
CID 41196224
N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
CID 70730171
N'-(2,6-dimethylphenyl)-N-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194610
1-(benzenesulfonyl)-2-(iodomethyl)piperidine
CID 71381040
N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide
CID 7280249
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[(2-methylphenyl)methyl]oxamide
CID 18574361
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 18574283

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-N-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-methylphenyl)-N-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethyl]-1,3-thiazol-2-amine (CID 173173836) is 5-(2-methylphenyl)-N-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-methylphenyl)-N-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-methylphenyl)-N-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethyl]-1,3-thiazol-2-amine is Cc1ccccc1-c1cnc(NCCC2CCCCN2S(=O)(=O)c2ccsc2)s1.
What is the InChIKey of 5-(2-methylphenyl)-N-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is CJISLFJJNSKJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S3/c1-16-6-2-3-8-19(16)20-14-23-21(28-20)22-11-9-17-7-4-5-12-24(17)29(25,26)18-10-13-27-15-18/h2-3,6,8,10,13-15,17H,4-5,7,9,11-12H2,1H3,(H,22,23).
What are the key properties of 5-(2-methylphenyl)-N-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethyl]-1,3-thiazol-2-amine?
5-(2-methylphenyl)-N-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 447.65 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-N-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 173173836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).