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

C20H23N5OS — CID 24790806

IUPAC2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2nccs2)CC1
InChIInChI=1S/C20H23N5OS/c26-19(14-16-4-2-1-3-5-16)23-18-6-9-22-25(18)17-7-11-24(12-8-17)15-20-21-10-13-27-20/h1-6,9-10,13,17H,7-8,11-12,14-15H2,(H,23,26)
InChIKeyNCQQEUJOKMQRRA-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.36
Rot. Bonds6

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

2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide (PubChem CID 24790806) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide
PubChem CID24790806
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2nccs2)CC1
InChIInChI=1S/C20H23N5OS/c26-19(14-16-4-2-1-3-5-16)23-18-6-9-22-25(18)17-7-11-24(12-8-17)15-20-21-10-13-27-20/h1-6,9-10,13,17H,7-8,11-12,14-15H2,(H,23,26)
InChIKeyNCQQEUJOKMQRRA-UHFFFAOYSA-N
XLogP3.36
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide (CID 24790806) is 2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide is O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2nccs2)CC1.
What is the InChIKey of 2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The InChIKey is NCQQEUJOKMQRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c26-19(14-16-4-2-1-3-5-16)23-18-6-9-22-25(18)17-7-11-24(12-8-17)15-20-21-10-13-27-20/h1-6,9-10,13,17H,7-8,11-12,14-15H2,(H,23,26).
What are the key properties of 2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide has a molecular weight of 381.51 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 24790806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).