N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C26H28N6O2S2 — CID 59210259

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)n(-c2ncccc2NC(=O)c2csc(C3CCN(C(=O)CCc4cccs4)CC3)n2)n1
InChIInChI=1S/C26H28N6O2S2/c1-17-15-18(2)32(30-17)24-21(6-3-11-27-24)28-25(34)22-16-36-26(29-22)19-9-12-31(13-10-19)23(33)8-7-20-5-4-14-35-20/h3-6,11,14-16,19H,7-10,12-13H2,1-2H3,(H,28,34)
InChIKeyQSELNIZKSDWZRN-UHFFFAOYSA-N
MW520.68 g/mol
LogP4.99
Rot. Bonds7

About N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 59210259) has the molecular formula C26H28N6O2S2 and a molecular weight of 520.68 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID59210259
Molecular FormulaC26H28N6O2S2
Molecular Weight520.68 g/mol
Exact Mass520.17
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)n(-c2ncccc2NC(=O)c2csc(C3CCN(C(=O)CCc4cccs4)CC3)n2)n1
InChIInChI=1S/C26H28N6O2S2/c1-17-15-18(2)32(30-17)24-21(6-3-11-27-24)28-25(34)22-16-36-26(29-22)19-9-12-31(13-10-19)23(33)8-7-20-5-4-14-35-20/h3-6,11,14-16,19H,7-10,12-13H2,1-2H3,(H,28,34)
InChIKeyQSELNIZKSDWZRN-UHFFFAOYSA-N
XLogP4.99
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.68
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 59210259) is N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is Cc1cc(C)n(-c2ncccc2NC(=O)c2csc(C3CCN(C(=O)CCc4cccs4)CC3)n2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is QSELNIZKSDWZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2S2/c1-17-15-18(2)32(30-17)24-21(6-3-11-27-24)28-25(34)22-16-36-26(29-22)19-9-12-31(13-10-19)23(33)8-7-20-5-4-14-35-20/h3-6,11,14-16,19H,7-10,12-13H2,1-2H3,(H,28,34).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 520.68 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59210259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).