3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

C15H17N3O2S — CID 63823278

IUPAC3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCC(=O)c1ccc(NC(=O)N(C)Cc2scnc2C)cc1
InChIInChI=1S/C15H17N3O2S/c1-10-14(21-9-16-10)8-18(3)15(20)17-13-6-4-12(5-7-13)11(2)19/h4-7,9H,8H2,1-3H3,(H,17,20)
InChIKeyGKHWLOAZZOTAPB-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.32
Rot. Bonds4

About 3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 63823278) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID63823278
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCC(=O)c1ccc(NC(=O)N(C)Cc2scnc2C)cc1
InChIInChI=1S/C15H17N3O2S/c1-10-14(21-9-16-10)8-18(3)15(20)17-13-6-4-12(5-7-13)11(2)19/h4-7,9H,8H2,1-3H3,(H,17,20)
InChIKeyGKHWLOAZZOTAPB-UHFFFAOYSA-N
XLogP3.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 63836669
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]benzoic acid
CID 63837681
N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24702385
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843592
1-[4-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]ethanone
CID 63836431
3-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]butanoic acid
CID 55260194
3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 115619023
4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63821276
N-(4-acetamidophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679721
2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide
CID 60724134
3-(4-acetylphenyl)-1-(2,2-difluoroethyl)-1-methylurea
CID 115612021

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (CID 63823278) is 3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is CC(=O)c1ccc(NC(=O)N(C)Cc2scnc2C)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is GKHWLOAZZOTAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-14(21-9-16-10)8-18(3)15(20)17-13-6-4-12(5-7-13)11(2)19/h4-7,9H,8H2,1-3H3,(H,17,20).
What are the key properties of 3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 303.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 63823278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).