3-anilino-4,5-dimethyl-1,3-thiazol-2-one

C11H12N2OS — CID 12505543

IUPAC3-anilino-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(Nc2ccccc2)c1C
InChIInChI=1S/C11H12N2OS/c1-8-9(2)15-11(14)13(8)12-10-6-4-3-5-7-10/h3-7,12H,1-2H3
InChIKeyWPXVBVZUJJPCSV-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.40
Rot. Bonds2

About 3-anilino-4,5-dimethyl-1,3-thiazol-2-one

3-anilino-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 12505543) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-anilino-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-anilino-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID12505543
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name3-anilino-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(Nc2ccccc2)c1C
InChIInChI=1S/C11H12N2OS/c1-8-9(2)15-11(14)13(8)12-10-6-4-3-5-7-10/h3-7,12H,1-2H3
InChIKeyWPXVBVZUJJPCSV-UHFFFAOYSA-N
XLogP2.40
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-anilino-2-imino-4-methyl-1,3-thiazole-5-carboxylate
CID 134908093
4-anilino-2-ethyl-5-methyl-1,2,4-triazol-3-one
CID 10822691
3-anilino-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 17424392
N-(5-methyl-2-oxo-4-phenyl-1,3-thiazol-3-yl)-2-phenylacetamide
CID 4185319
1-anilino-2,4-dimethyl-4H-imidazol-5-one
CID 143749093
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 60572729
5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate
CID 20614837
2-methyl-N-phenylbenzimidazol-1-amine
CID 15532784
(2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid
CID 119367546
4-anilino-3-methyl-1H-1,2,4-triazole-5-thione
CID 10954722
3-anilino-2-chloroquinazolin-4-one
CID 141230823
4-anilino-2-ethyl-5-propyl-1,2,4-triazol-3-one
CID 10681885

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-anilino-4,5-dimethyl-1,3-thiazol-2-one (CID 12505543) is 3-anilino-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-anilino-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-anilino-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(Nc2ccccc2)c1C.
What is the InChIKey of 3-anilino-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is WPXVBVZUJJPCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-9(2)15-11(14)13(8)12-10-6-4-3-5-7-10/h3-7,12H,1-2H3.
What are the key properties of 3-anilino-4,5-dimethyl-1,3-thiazol-2-one?
3-anilino-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 220.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 12505543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).