1-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide

C20H25N3O5S — CID 42580978

IUPAC1-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
SMILESCOc1cc(-c2nc(C)c(C(=O)N3CCC(C(N)=O)CC3)s2)cc(OC)c1OC
InChIInChI=1S/C20H25N3O5S/c1-11-17(20(25)23-7-5-12(6-8-23)18(21)24)29-19(22-11)13-9-14(26-2)16(28-4)15(10-13)27-3/h9-10,12H,5-8H2,1-4H3,(H2,21,24)
InChIKeyGSKONMFAARNCGQ-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.48
Rot. Bonds6

About 1-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide

1-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 42580978) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 1-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
PubChem CID42580978
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name1-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
SMILESCOc1cc(-c2nc(C)c(C(=O)N3CCC(C(N)=O)CC3)s2)cc(OC)c1OC
InChIInChI=1S/C20H25N3O5S/c1-11-17(20(25)23-7-5-12(6-8-23)18(21)24)29-19(22-11)13-9-14(26-2)16(28-4)15(10-13)27-3/h9-10,12H,5-8H2,1-4H3,(H2,21,24)
InChIKeyGSKONMFAARNCGQ-UHFFFAOYSA-N
XLogP2.48
TPSA103.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide (CID 42580978) is 1-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide is COc1cc(-c2nc(C)c(C(=O)N3CCC(C(N)=O)CC3)s2)cc(OC)c1OC.
What is the InChIKey of 1-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is GSKONMFAARNCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-11-17(20(25)23-7-5-12(6-8-23)18(21)24)29-19(22-11)13-9-14(26-2)16(28-4)15(10-13)27-3/h9-10,12H,5-8H2,1-4H3,(H2,21,24).
What are the key properties of 1-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
1-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 42580978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).