5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole

C14H16N2O2S2 — CID 139582161

IUPAC5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole
SMILESO=S(=O)(c1ncsc1-c1ccccc1)N1CCCCC1
InChIInChI=1S/C14H16N2O2S2/c17-20(18,16-9-5-2-6-10-16)14-13(19-11-15-14)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyMKMGRBRFDWDUAY-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.98
Rot. Bonds3

About 5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole

5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole (PubChem CID 139582161) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole.

Molecular Properties

Compound Name5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole
PubChem CID139582161
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole
SMILESO=S(=O)(c1ncsc1-c1ccccc1)N1CCCCC1
InChIInChI=1S/C14H16N2O2S2/c17-20(18,16-9-5-2-6-10-16)14-13(19-11-15-14)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyMKMGRBRFDWDUAY-UHFFFAOYSA-N
XLogP2.98
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,3-thiazole
CID 139582153
4-(2-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole
CID 141186190
1-(2-phenylphenyl)sulfonylpyrrolidine
CID 51112991
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166
2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 1034342
1-thiophen-2-ylsulfonylpiperidine
CID 765823
3-methylsulfanyl-2-piperidin-1-ylsulfonylpyridine
CID 146169220
1,3-bis(benzenesulfonyl)-1,3-diazocane
CID 13382390
5-(4-fluorophenyl)-2-(4-methylphenyl)-4-piperidin-1-ylsulfonyl-1,3-thiazole
CID 71671050
5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole
CID 19258655
2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine
CID 2538848
1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 42348986

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole?
The IUPAC name of 5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole (CID 139582161) is 5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole.
What is the SMILES notation for 5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole?
The canonical SMILES for 5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole is O=S(=O)(c1ncsc1-c1ccccc1)N1CCCCC1.
What is the InChIKey of 5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole?
The InChIKey is MKMGRBRFDWDUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c17-20(18,16-9-5-2-6-10-16)14-13(19-11-15-14)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2.
What are the key properties of 5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole?
5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole has a molecular weight of 308.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole is sourced from PubChem (CID 139582161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).