1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide

C21H26N6OS — CID 24791870

IUPAC1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESCN(C)c1ncc(CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)s1
InChIInChI=1S/C21H26N6OS/c1-25(2)21-22-14-19(29-21)15-26-12-8-16(9-13-26)20(28)24-17-4-6-18(7-5-17)27-11-3-10-23-27/h3-7,10-11,14,16H,8-9,12-13,15H2,1-2H3,(H,24,28)
InChIKeyUCDXGSCAWRKUEU-UHFFFAOYSA-N
MW410.55 g/mol
LogP3.25
Rot. Bonds6

About 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide

1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 24791870) has the molecular formula C21H26N6OS and a molecular weight of 410.55 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
PubChem CID24791870
Molecular FormulaC21H26N6OS
Molecular Weight410.55 g/mol
Exact Mass410.19
IUPAC Name1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESCN(C)c1ncc(CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)s1
InChIInChI=1S/C21H26N6OS/c1-25(2)21-22-14-19(29-21)15-26-12-8-16(9-13-26)20(28)24-17-4-6-18(7-5-17)27-11-3-10-23-27/h3-7,10-11,14,16H,8-9,12-13,15H2,1-2H3,(H,24,28)
InChIKeyUCDXGSCAWRKUEU-UHFFFAOYSA-N
XLogP3.25
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide (CID 24791870) is 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide is CN(C)c1ncc(CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)s1.
What is the InChIKey of 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is UCDXGSCAWRKUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6OS/c1-25(2)21-22-14-19(29-21)15-26-12-8-16(9-13-26)20(28)24-17-4-6-18(7-5-17)27-11-3-10-23-27/h3-7,10-11,14,16H,8-9,12-13,15H2,1-2H3,(H,24,28).
What are the key properties of 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 410.55 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 24791870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).