2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole

C20H20N2O2S2 — CID 1034342

IUPAC2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
SMILESO=S(=O)(c1cccc(-c2csc(-c3ccccc3)n2)c1)N1CCCCC1
InChIInChI=1S/C20H20N2O2S2/c23-26(24,22-12-5-2-6-13-22)18-11-7-10-17(14-18)19-15-25-20(21-19)16-8-3-1-4-9-16/h1,3-4,7-11,14-15H,2,5-6,12-13H2
InChIKeyDPISMSORJHNNQS-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.65
Rot. Bonds4

About 2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole

2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole (PubChem CID 1034342) has the molecular formula C20H20N2O2S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
PubChem CID1034342
Molecular FormulaC20H20N2O2S2
Molecular Weight384.53 g/mol
Exact Mass384.10
IUPAC Name2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
SMILESO=S(=O)(c1cccc(-c2csc(-c3ccccc3)n2)c1)N1CCCCC1
InChIInChI=1S/C20H20N2O2S2/c23-26(24,22-12-5-2-6-13-22)18-11-7-10-17(14-18)19-15-25-20(21-19)16-8-3-1-4-9-16/h1,3-4,7-11,14-15H,2,5-6,12-13H2
InChIKeyDPISMSORJHNNQS-UHFFFAOYSA-N
XLogP4.65
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-phenyl-1,3-thiazole
CID 7735634
ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate
CID 3761247
4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 18293013
4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenyl)-1,3-thiazole
CID 5121122
2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 1033169
2-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole
CID 2130217
4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 663895
4-[3-(azepan-1-ylsulfonyl)phenyl]-N-[(4-chlorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 4701555
N-[(3-chlorophenyl)methylideneamino]-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 4701481
4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-pyridin-3-yl-1,3-thiazole
CID 35042811
4-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-pyridin-3-yl-1,3-thiazole
CID 35042816
(2R,6R)-2,6-dimethyl-4-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 35042804

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole (CID 1034342) is 2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole is O=S(=O)(c1cccc(-c2csc(-c3ccccc3)n2)c1)N1CCCCC1.
What is the InChIKey of 2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole?
The InChIKey is DPISMSORJHNNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S2/c23-26(24,22-12-5-2-6-13-22)18-11-7-10-17(14-18)19-15-25-20(21-19)16-8-3-1-4-9-16/h1,3-4,7-11,14-15H,2,5-6,12-13H2.
What are the key properties of 2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole?
2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole has a molecular weight of 384.53 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 1034342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).