4-tert-butyl-2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole

C24H35N3O2S2 — CID 59178829

IUPAC4-tert-butyl-2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole
SMILESCC(C)(C)c1csc(N2CCC(C3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)CC2)n1
InChIInChI=1S/C24H35N3O2S2/c1-24(2,3)22-17-30-23(25-22)27-15-11-19(12-16-27)18-9-13-26(14-10-18)20-5-7-21(8-6-20)31(4,28)29/h5-8,17-19H,9-16H2,1-4H3
InChIKeyLHDZRBXNYWRPBA-UHFFFAOYSA-N
MW461.70 g/mol
LogP4.98
Rot. Bonds4

About 4-tert-butyl-2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole

4-tert-butyl-2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole (PubChem CID 59178829) has the molecular formula C24H35N3O2S2 and a molecular weight of 461.70 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole
PubChem CID59178829
Molecular FormulaC24H35N3O2S2
Molecular Weight461.70 g/mol
Exact Mass461.22
IUPAC Name4-tert-butyl-2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole
SMILESCC(C)(C)c1csc(N2CCC(C3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)CC2)n1
InChIInChI=1S/C24H35N3O2S2/c1-24(2,3)22-17-30-23(25-22)27-15-11-19(12-16-27)18-9-13-26(14-10-18)20-5-7-21(8-6-20)31(4,28)29/h5-8,17-19H,9-16H2,1-4H3
InChIKeyLHDZRBXNYWRPBA-UHFFFAOYSA-N
XLogP4.98
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.70
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole (CID 59178829) is 4-tert-butyl-2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole is CC(C)(C)c1csc(N2CCC(C3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)CC2)n1.
What is the InChIKey of 4-tert-butyl-2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole?
The InChIKey is LHDZRBXNYWRPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2S2/c1-24(2,3)22-17-30-23(25-22)27-15-11-19(12-16-27)18-9-13-26(14-10-18)20-5-7-21(8-6-20)31(4,28)29/h5-8,17-19H,9-16H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole?
4-tert-butyl-2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole has a molecular weight of 461.70 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 59178829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).