N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide

C16H19N3O2S — CID 25260429

IUPACN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)N3CCOCC3)n2)c(C)c1
InChIInChI=1S/C16H19N3O2S/c1-11-3-4-13(12(2)9-11)14-10-22-15(17-14)18-16(20)19-5-7-21-8-6-19/h3-4,9-10H,5-8H2,1-2H3,(H,17,18,20)
InChIKeyYNADRRKPZJGSNY-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.29
Rot. Bonds2

About N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide (PubChem CID 25260429) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide
PubChem CID25260429
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)N3CCOCC3)n2)c(C)c1
InChIInChI=1S/C16H19N3O2S/c1-11-3-4-13(12(2)9-11)14-10-22-15(17-14)18-16(20)19-5-7-21-8-6-19/h3-4,9-10H,5-8H2,1-2H3,(H,17,18,20)
InChIKeyYNADRRKPZJGSNY-UHFFFAOYSA-N
XLogP3.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-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 N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide (CID 25260429) is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide is Cc1ccc(-c2csc(NC(=O)N3CCOCC3)n2)c(C)c1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide?
The InChIKey is YNADRRKPZJGSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-3-4-13(12(2)9-11)14-10-22-15(17-14)18-16(20)19-5-7-21-8-6-19/h3-4,9-10H,5-8H2,1-2H3,(H,17,18,20).
What are the key properties of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide?
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 25260429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).