[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C25H35N3O3S — CID 20943094

IUPAC[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C25H35N3O3S/c1-17(2)20-5-7-21(8-6-20)23-19(4)24(26-32(23,30)31)27-15-11-22(12-16-27)25(29)28-13-9-18(3)10-14-28/h5-8,17-18,22H,9-16H2,1-4H3
InChIKeyJGCHIFXEXYCFGI-UHFFFAOYSA-N
MW457.64 g/mol
LogP4.25
Rot. Bonds3

About [1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 20943094) has the molecular formula C25H35N3O3S and a molecular weight of 457.64 g/mol. Its IUPAC name is [1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID20943094
Molecular FormulaC25H35N3O3S
Molecular Weight457.64 g/mol
Exact Mass457.24
IUPAC Name[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C25H35N3O3S/c1-17(2)20-5-7-21(8-6-20)23-19(4)24(26-32(23,30)31)27-15-11-22(12-16-27)25(29)28-13-9-18(3)10-14-28/h5-8,17-18,22H,9-16H2,1-4H3
InChIKeyJGCHIFXEXYCFGI-UHFFFAOYSA-N
XLogP4.25
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 20943094) is [1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of [1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is JGCHIFXEXYCFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3S/c1-17(2)20-5-7-21(8-6-20)23-19(4)24(26-32(23,30)31)27-15-11-22(12-16-27)25(29)28-13-9-18(3)10-14-28/h5-8,17-18,22H,9-16H2,1-4H3.
What are the key properties of [1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 457.64 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 20943094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).