[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

C21H25N5OS — CID 164691216

IUPAC[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(c3ccccc3)(c3csc(N)n3)CC2)n[nH]1
InChIInChI=1S/C21H25N5OS/c1-2-6-16-13-17(25-24-16)19(27)26-11-9-21(10-12-26,15-7-4-3-5-8-15)18-14-28-20(22)23-18/h3-5,7-8,13-14H,2,6,9-12H2,1H3,(H2,22,23)(H,24,25)
InChIKeyZOJHJIAISSMBJW-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.62
Rot. Bonds5

About [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (PubChem CID 164691216) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
PubChem CID164691216
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(c3ccccc3)(c3csc(N)n3)CC2)n[nH]1
InChIInChI=1S/C21H25N5OS/c1-2-6-16-13-17(25-24-16)19(27)26-11-9-21(10-12-26,15-7-4-3-5-8-15)18-14-28-20(22)23-18/h3-5,7-8,13-14H,2,6,9-12H2,1H3,(H2,22,23)(H,24,25)
InChIKeyZOJHJIAISSMBJW-UHFFFAOYSA-N
XLogP3.62
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone
CID 165419680
(3-amino-1H-pyrazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165418796
(2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165426176
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 165419776
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 165423031
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 165423923
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 165418490
(2S)-2-amino-1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 165422793
4-[1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
CID 165417813
(5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135102517
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone
CID 165427482
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 165426837

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (CID 164691216) is [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is CCCc1cc(C(=O)N2CCC(c3ccccc3)(c3csc(N)n3)CC2)n[nH]1.
What is the InChIKey of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The InChIKey is ZOJHJIAISSMBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-2-6-16-13-17(25-24-16)19(27)26-11-9-21(10-12-26,15-7-4-3-5-8-15)18-14-28-20(22)23-18/h3-5,7-8,13-14H,2,6,9-12H2,1H3,(H2,22,23)(H,24,25).
What are the key properties of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone has a molecular weight of 395.53 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 164691216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).