2,4-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide

C17H21N3OS — CID 23609425

IUPAC2,4-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(N3CCCCC3)cc2)s1
InChIInChI=1S/C17H21N3OS/c1-12-16(22-13(2)18-12)17(21)19-14-6-8-15(9-7-14)20-10-4-3-5-11-20/h6-9H,3-5,10-11H2,1-2H3,(H,19,21)
InChIKeyLRBYHMIIGGKLFD-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.00
Rot. Bonds3

About 2,4-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 23609425) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID23609425
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name2,4-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(N3CCCCC3)cc2)s1
InChIInChI=1S/C17H21N3OS/c1-12-16(22-13(2)18-12)17(21)19-14-6-8-15(9-7-14)20-10-4-3-5-11-20/h6-9H,3-5,10-11H2,1-2H3,(H,19,21)
InChIKeyLRBYHMIIGGKLFD-UHFFFAOYSA-N
XLogP4.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide (CID 23609425) is 2,4-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(N3CCCCC3)cc2)s1.
What is the InChIKey of 2,4-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LRBYHMIIGGKLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12-16(22-13(2)18-12)17(21)19-14-6-8-15(9-7-14)20-10-4-3-5-11-20/h6-9H,3-5,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2,4-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23609425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).