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

C23H29N5OS — CID 24819278

IUPAC2-phenyl-N-[2-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCC(C)c1csc(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H29N5OS/c1-17(2)20-16-30-23(25-20)15-27-12-9-19(10-13-27)28-21(8-11-24-28)26-22(29)14-18-6-4-3-5-7-18/h3-8,11,16-17,19H,9-10,12-15H2,1-2H3,(H,26,29)
InChIKeyISHDRJPUYQVGNR-UHFFFAOYSA-N
MW423.59 g/mol
LogP4.48
Rot. Bonds7

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

2-phenyl-N-[2-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide (PubChem CID 24819278) has the molecular formula C23H29N5OS and a molecular weight of 423.59 g/mol. Its IUPAC name is 2-phenyl-N-[2-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[2-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
PubChem CID24819278
Molecular FormulaC23H29N5OS
Molecular Weight423.59 g/mol
Exact Mass423.21
IUPAC Name2-phenyl-N-[2-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCC(C)c1csc(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H29N5OS/c1-17(2)20-16-30-23(25-20)15-27-12-9-19(10-13-27)28-21(8-11-24-28)26-22(29)14-18-6-4-3-5-7-18/h3-8,11,16-17,19H,9-10,12-15H2,1-2H3,(H,26,29)
InChIKeyISHDRJPUYQVGNR-UHFFFAOYSA-N
XLogP4.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 54.48
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-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-phenyl-N-[2-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide (CID 24819278) is 2-phenyl-N-[2-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[2-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[2-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide is CC(C)c1csc(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-phenyl-N-[2-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?
The InChIKey is ISHDRJPUYQVGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5OS/c1-17(2)20-16-30-23(25-20)15-27-12-9-19(10-13-27)28-21(8-11-24-28)26-22(29)14-18-6-4-3-5-7-18/h3-8,11,16-17,19H,9-10,12-15H2,1-2H3,(H,26,29).
What are the key properties of 2-phenyl-N-[2-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?
2-phenyl-N-[2-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide has a molecular weight of 423.59 g/mol, XLogP of 4.48, 7 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-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 24819278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).