2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole

C12H14N2O2S3 — CID 91601557

IUPAC2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole
SMILESO=S(=O)(c1cccs1)N1CCC(c2nccs2)CC1
InChIInChI=1S/C12H14N2O2S3/c15-19(16,11-2-1-8-17-11)14-6-3-10(4-7-14)12-13-5-9-18-12/h1-2,5,8-10H,3-4,6-7H2
InChIKeyYZSWVBQIFDPXSV-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.77
Rot. Bonds3

About 2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole

2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole (PubChem CID 91601557) has the molecular formula C12H14N2O2S3 and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole
PubChem CID91601557
Molecular FormulaC12H14N2O2S3
Molecular Weight314.46 g/mol
Exact Mass314.02
IUPAC Name2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole
SMILESO=S(=O)(c1cccs1)N1CCC(c2nccs2)CC1
InChIInChI=1S/C12H14N2O2S3/c15-19(16,11-2-1-8-17-11)14-6-3-10(4-7-14)12-13-5-9-18-12/h1-2,5,8-10H,3-4,6-7H2
InChIKeyYZSWVBQIFDPXSV-UHFFFAOYSA-N
XLogP2.77
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole
CID 110289836
3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]sulfonylbenzoic acid
CID 110628834
4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)phenol
CID 60924806
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
(4-pyridin-4-ylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 46362695
1-thiophen-2-ylsulfonylpiperidine
CID 765823
1-cyclopropyl-4-thiophen-2-ylsulfonylpiperazine
CID 47454442
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
1-thiophen-2-ylsulfonylpiperazin-4-ium
CID 7016013
1-thiophen-2-ylsulfonylpiperazine
CID 3865892
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole?
The IUPAC name of 2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole (CID 91601557) is 2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole is O=S(=O)(c1cccs1)N1CCC(c2nccs2)CC1.
What is the InChIKey of 2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole?
The InChIKey is YZSWVBQIFDPXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S3/c15-19(16,11-2-1-8-17-11)14-6-3-10(4-7-14)12-13-5-9-18-12/h1-2,5,8-10H,3-4,6-7H2.
What are the key properties of 2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole?
2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole has a molecular weight of 314.46 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 91601557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).