| CAS Number | 1601045-72-0 |
| Catalog Number | AG01BXKW |
| Chemical Name | 3-methyl-1-[(1,3-thiazol-2-yl)methyl]urea |
| IUPAC Name | 1-methyl-3-(1,3-thiazol-2-ylmethyl)urea |
| InChI | InChI=1S/C6H9N3OS/c1-7-6(10)9-4-5-8-2-3-11-5/h2-3H,4H2,1H3,(H2,7,9,10) |
| InChI Key | RMQDESDSPTUSBM-UHFFFAOYSA-N |
| MDL Number | MFCD30487855 |
| Molecular Formula | C6H9N3OS |
| Molecular Weight | 171.2202 |
| SMILES | CNC(NCC1SC=CN=1)=O |
| Synonyms | 3-methyl-1-[(1,3-thiazol-2-yl)methyl]urea,
1601045-72-0,
SCHEMBL13870634,
ZINC136117295,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.218g/mol |
| Monoisotopic Mass | 171.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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