2-methoxy-2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide

C21H25N5O2S — CID 24819355

IUPAC2-methoxy-2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2nccs2)CC1)c1ccccc1
InChIInChI=1S/C21H25N5O2S/c1-28-20(16-5-3-2-4-6-16)21(27)24-18-7-10-23-26(18)17-8-12-25(13-9-17)15-19-22-11-14-29-19/h2-7,10-11,14,17,20H,8-9,12-13,15H2,1H3,(H,24,27)
InChIKeyNWTZJCLZRFZZMN-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.50
Rot. Bonds7

About 2-methoxy-2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide

2-methoxy-2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide (PubChem CID 24819355) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide
PubChem CID24819355
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC Name2-methoxy-2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2nccs2)CC1)c1ccccc1
InChIInChI=1S/C21H25N5O2S/c1-28-20(16-5-3-2-4-6-16)21(27)24-18-7-10-23-26(18)17-8-12-25(13-9-17)15-19-22-11-14-29-19/h2-7,10-11,14,17,20H,8-9,12-13,15H2,1H3,(H,24,27)
InChIKeyNWTZJCLZRFZZMN-UHFFFAOYSA-N
XLogP3.50
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-methoxy-2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide (CID 24819355) is 2-methoxy-2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-methoxy-2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-methoxy-2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide is COC(C(=O)Nc1ccnn1C1CCN(Cc2nccs2)CC1)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The InChIKey is NWTZJCLZRFZZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-28-20(16-5-3-2-4-6-16)21(27)24-18-7-10-23-26(18)17-8-12-25(13-9-17)15-19-22-11-14-29-19/h2-7,10-11,14,17,20H,8-9,12-13,15H2,1H3,(H,24,27).
What are the key properties of 2-methoxy-2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
2-methoxy-2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide has a molecular weight of 411.53 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 24819355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).