2-phenyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide

C18H23N3OS — CID 164619567

IUPAC2-phenyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C18H23N3OS/c22-17(19-10-7-13-21-11-5-2-6-12-21)16-14-20-18(23-16)15-8-3-1-4-9-15/h1,3-4,8-9,14H,2,5-7,10-13H2,(H,19,22)
InChIKeyLIOBUEJWVJSGIO-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.42
Rot. Bonds6

About 2-phenyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide

2-phenyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 164619567) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-phenyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID164619567
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-phenyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C18H23N3OS/c22-17(19-10-7-13-21-11-5-2-6-12-21)16-14-20-18(23-16)15-8-3-1-4-9-15/h1,3-4,8-9,14H,2,5-7,10-13H2,(H,19,22)
InChIKeyLIOBUEJWVJSGIO-UHFFFAOYSA-N
XLogP3.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Thiazole derivative, 29c
CID 25023818
(2-Phenylethynyl-thiazol-5-yl)-piperidin-1-yl-methanone
CID 51049976
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 84507995
1-(2-Phenyl-1,3-thiazol-5-yl)ethan-1-one
CID 608996
3-Anilino-1-(2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 5919925
3-(Dimethylamino)-1-(2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 6184028
N-(2-fluorobenzyl)-3-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}propanamide
CID 16192085
N-(3,4-difluorobenzyl)-3-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}propanamide
CID 16192186
N-hydroxy-2-[3-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide
CID 162675460
N-[3-(azepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164613815
2-(4-chlorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 166635755
US10343992, Example 71
CID 122590394

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-phenyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide (CID 164619567) is 2-phenyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-phenyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-phenyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide is O=C(NCCCN1CCCCC1)c1cnc(-c2ccccc2)s1.
What is the InChIKey of 2-phenyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LIOBUEJWVJSGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c22-17(19-10-7-13-21-11-5-2-6-12-21)16-14-20-18(23-16)15-8-3-1-4-9-15/h1,3-4,8-9,14H,2,5-7,10-13H2,(H,19,22).
What are the key properties of 2-phenyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
2-phenyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164619567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).