2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide

C21H22N4O2S — CID 18567492

IUPAC2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(NC(=O)Nc2nc(CC(=O)NCCc3ccccc3)cs2)cc1
InChIInChI=1S/C21H22N4O2S/c1-15-7-9-17(10-8-15)23-20(27)25-21-24-18(14-28-21)13-19(26)22-12-11-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H,22,26)(H2,23,24,25,27)
InChIKeyBLGGWKKNGLQMCG-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.00
Rot. Bonds7

About 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide

2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide (PubChem CID 18567492) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
PubChem CID18567492
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(NC(=O)Nc2nc(CC(=O)NCCc3ccccc3)cs2)cc1
InChIInChI=1S/C21H22N4O2S/c1-15-7-9-17(10-8-15)23-20(27)25-21-24-18(14-28-21)13-19(26)22-12-11-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H,22,26)(H2,23,24,25,27)
InChIKeyBLGGWKKNGLQMCG-UHFFFAOYSA-N
XLogP4.00
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide
CID 18567678
2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 16948332
4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 4534900
N-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 4623793
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 41158657
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 41158668
N-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567512
N-cycloheptyl-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567701
2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
CID 41211843
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea
CID 47194043
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide (CID 18567492) is 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide is Cc1ccc(NC(=O)Nc2nc(CC(=O)NCCc3ccccc3)cs2)cc1.
What is the InChIKey of 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is BLGGWKKNGLQMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-15-7-9-17(10-8-15)23-20(27)25-21-24-18(14-28-21)13-19(26)22-12-11-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide?
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 394.50 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 18567492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).