1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea

C12H13N3OS — CID 110748214

IUPAC1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea
SMILESCc1csc(N(C)C(=O)Nc2ccccc2)n1
InChIInChI=1S/C12H13N3OS/c1-9-8-17-12(13-9)15(2)11(16)14-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,16)
InChIKeyCYRBXBFBGXSZFW-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.12
Rot. Bonds2

About 1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea

1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea (PubChem CID 110748214) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea
PubChem CID110748214
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea
SMILESCc1csc(N(C)C(=O)Nc2ccccc2)n1
InChIInChI=1S/C12H13N3OS/c1-9-8-17-12(13-9)15(2)11(16)14-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,16)
InChIKeyCYRBXBFBGXSZFW-UHFFFAOYSA-N
XLogP3.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea
CID 110748217
2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid
CID 90292024
2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110723547
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 110723514
N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide
CID 108519268
2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide
CID 95903901
1-chloro-1-methyl-3-phenylurea
CID 173170547
3-methoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110723491
methyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate
CID 86792918
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 43616649
ethyl 2-[[(4-chlorobenzoyl)amino]-(phenylcarbamoyl)amino]-1,3-thiazole-4-carboxylate
CID 1497931
3-[(2-methylphenyl)methyl-(4-methyl-1,3-thiazol-2-yl)amino]propanoic acid
CID 82309766

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea?
The IUPAC name of 1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea (CID 110748214) is 1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea.
What is the SMILES notation for 1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea?
The canonical SMILES for 1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea is Cc1csc(N(C)C(=O)Nc2ccccc2)n1.
What is the InChIKey of 1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea?
The InChIKey is CYRBXBFBGXSZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-9-8-17-12(13-9)15(2)11(16)14-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,16).
What are the key properties of 1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea?
1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea has a molecular weight of 247.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea is sourced from PubChem (CID 110748214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).