2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide

C23H26N4O2S2 — CID 23733281

IUPAC2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(CNC(=O)c2csc(C3CCN(C(=O)c4sc(C)nc4C)CC3)n2)c1
InChIInChI=1S/C23H26N4O2S2/c1-14-5-4-6-17(11-14)12-24-21(28)19-13-30-22(26-19)18-7-9-27(10-8-18)23(29)20-15(2)25-16(3)31-20/h4-6,11,13,18H,7-10,12H2,1-3H3,(H,24,28)
InChIKeyCLXOLASOUAMYBB-UHFFFAOYSA-N
MW454.62 g/mol
LogP4.47
Rot. Bonds5

About 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide

2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 23733281) has the molecular formula C23H26N4O2S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID23733281
Molecular FormulaC23H26N4O2S2
Molecular Weight454.62 g/mol
Exact Mass454.15
IUPAC Name2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(CNC(=O)c2csc(C3CCN(C(=O)c4sc(C)nc4C)CC3)n2)c1
InChIInChI=1S/C23H26N4O2S2/c1-14-5-4-6-17(11-14)12-24-21(28)19-13-30-22(26-19)18-7-9-27(10-8-18)23(29)20-15(2)25-16(3)31-20/h4-6,11,13,18H,7-10,12H2,1-3H3,(H,24,28)
InChIKeyCLXOLASOUAMYBB-UHFFFAOYSA-N
XLogP4.47
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-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 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 23733281) is 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is Cc1cccc(CNC(=O)c2csc(C3CCN(C(=O)c4sc(C)nc4C)CC3)n2)c1.
What is the InChIKey of 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CLXOLASOUAMYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S2/c1-14-5-4-6-17(11-14)12-24-21(28)19-13-30-22(26-19)18-7-9-27(10-8-18)23(29)20-15(2)25-16(3)31-20/h4-6,11,13,18H,7-10,12H2,1-3H3,(H,24,28).
What are the key properties of 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 454.62 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 23733281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).