1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C16H19N3OS — CID 131953480

IUPAC1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ncc(-c3ccccc3)s2)CC1
InChIInChI=1S/C16H19N3OS/c1-19-9-7-13(8-10-19)15(20)18-16-17-11-14(21-16)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,18,20)
InChIKeyBTZKRRFKIKIADV-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.09
Rot. Bonds3

About 1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 131953480) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID131953480
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ncc(-c3ccccc3)s2)CC1
InChIInChI=1S/C16H19N3OS/c1-19-9-7-13(8-10-19)15(20)18-16-17-11-14(21-16)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,18,20)
InChIKeyBTZKRRFKIKIADV-UHFFFAOYSA-N
XLogP3.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 131953480) is 1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is CN1CCC(C(=O)Nc2ncc(-c3ccccc3)s2)CC1.
What is the InChIKey of 1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is BTZKRRFKIKIADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-19-9-7-13(8-10-19)15(20)18-16-17-11-14(21-16)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,18,20).
What are the key properties of 1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 131953480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).