N-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide

C19H25N3O2S — CID 164617757

IUPACN-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOC1CCN(CCCNC(=O)c2cnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C19H25N3O2S/c1-24-16-8-12-22(13-9-16)11-5-10-20-18(23)17-14-21-19(25-17)15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,20,23)
InChIKeyONCUCRBFLONQTM-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.04
Rot. Bonds7

About N-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 164617757) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID164617757
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOC1CCN(CCCNC(=O)c2cnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C19H25N3O2S/c1-24-16-8-12-22(13-9-16)11-5-10-20-18(23)17-14-21-19(25-17)15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,20,23)
InChIKeyONCUCRBFLONQTM-UHFFFAOYSA-N
XLogP3.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 164617757) is N-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide is COC1CCN(CCCNC(=O)c2cnc(-c3ccccc3)s2)CC1.
What is the InChIKey of N-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is ONCUCRBFLONQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-24-16-8-12-22(13-9-16)11-5-10-20-18(23)17-14-21-19(25-17)15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,20,23).
What are the key properties of N-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164617757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).