4-(4-aminophenyl)-3-methyl-1,3-thiazol-2-one

C10H10N2OS — CID 82028087

IUPAC4-(4-aminophenyl)-3-methyl-1,3-thiazol-2-one
SMILESCn1c(-c2ccc(N)cc2)csc1=O
InChIInChI=1S/C10H10N2OS/c1-12-9(6-14-10(12)13)7-2-4-8(11)5-3-7/h2-6H,11H2,1H3
InChIKeyOLHBRXLTOJTBIH-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.70
Rot. Bonds1

About 4-(4-aminophenyl)-3-methyl-1,3-thiazol-2-one

4-(4-aminophenyl)-3-methyl-1,3-thiazol-2-one (PubChem CID 82028087) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-(4-aminophenyl)-3-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(4-aminophenyl)-3-methyl-1,3-thiazol-2-one
PubChem CID82028087
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name4-(4-aminophenyl)-3-methyl-1,3-thiazol-2-one
SMILESCn1c(-c2ccc(N)cc2)csc1=O
InChIInChI=1S/C10H10N2OS/c1-12-9(6-14-10(12)13)7-2-4-8(11)5-3-7/h2-6H,11H2,1H3
InChIKeyOLHBRXLTOJTBIH-UHFFFAOYSA-N
XLogP1.70
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-one
CID 12743057
3-methyl-4-phenyl-1,3-thiazol-2-one
CID 12743054
4-amino-1-methyl-6-(4-methylphenyl)pyridin-2-one
CID 105467816
3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one
CID 82027849
4-amino-6-(4-chlorophenyl)-1-methylpyridin-2-one
CID 105495523
4-amino-6-(4-hydroxyphenyl)-1-methylpyridin-2-one
CID 105469660
3-methyl-4-[4-[4-(3-methyl-2-sulfanylidene-1,3-thiazol-4-yl)phenyl]phenyl]-1,3-thiazole-2-thione
CID 71336552
4-(4-aminophenyl)-3-[(3-chlorophenyl)methyl]-1,3-thiazol-2-one
CID 92936592
5-[[4-(4-aminophenyl)-2-oxo-1,3-thiazol-3-yl]methyl]furan-2-carboxylic acid
CID 94968811
3-(4-aminobutyl)-4-(4-chlorophenyl)-1,3-thiazol-2-one
CID 82027926
4-(3-aminophenyl)-3-butyl-1,3-thiazol-2-one
CID 82028048
3-(4-aminobutyl)-4-(4-phenylphenyl)-1,3-thiazol-2-one
CID 82027928

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-3-methyl-1,3-thiazol-2-one?
The IUPAC name of 4-(4-aminophenyl)-3-methyl-1,3-thiazol-2-one (CID 82028087) is 4-(4-aminophenyl)-3-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 4-(4-aminophenyl)-3-methyl-1,3-thiazol-2-one?
The canonical SMILES for 4-(4-aminophenyl)-3-methyl-1,3-thiazol-2-one is Cn1c(-c2ccc(N)cc2)csc1=O.
What is the InChIKey of 4-(4-aminophenyl)-3-methyl-1,3-thiazol-2-one?
The InChIKey is OLHBRXLTOJTBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-12-9(6-14-10(12)13)7-2-4-8(11)5-3-7/h2-6H,11H2,1H3.
What are the key properties of 4-(4-aminophenyl)-3-methyl-1,3-thiazol-2-one?
4-(4-aminophenyl)-3-methyl-1,3-thiazol-2-one has a molecular weight of 206.27 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-3-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 82028087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).