4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-2-amine

C15H19N3O2S2 — CID 16768936

IUPAC4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3csc(N)n3)CC2)cc1
InChIInChI=1S/C15H19N3O2S2/c1-11-2-4-13(5-3-11)22(19,20)18-8-6-12(7-9-18)14-10-21-15(16)17-14/h2-5,10,12H,6-9H2,1H3,(H2,16,17)
InChIKeyFICDNCYJQRRSAP-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.60
Rot. Bonds3

About 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-2-amine

4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 16768936) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-2-amine
PubChem CID16768936
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3csc(N)n3)CC2)cc1
InChIInChI=1S/C15H19N3O2S2/c1-11-2-4-13(5-3-11)22(19,20)18-8-6-12(7-9-18)14-10-21-15(16)17-14/h2-5,10,12H,6-9H2,1H3,(H2,16,17)
InChIKeyFICDNCYJQRRSAP-UHFFFAOYSA-N
XLogP2.60
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-2-amine (CID 16768936) is 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-2-amine is Cc1ccc(S(=O)(=O)N2CCC(c3csc(N)n3)CC2)cc1.
What is the InChIKey of 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is FICDNCYJQRRSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-11-2-4-13(5-3-11)22(19,20)18-8-6-12(7-9-18)14-10-21-15(16)17-14/h2-5,10,12H,6-9H2,1H3,(H2,16,17).
What are the key properties of 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-2-amine?
4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 337.47 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 16768936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).