1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone

C12H13N3OS — CID 46285576

IUPAC1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2cccc(C)c2)nc1N
InChIInChI=1S/C12H13N3OS/c1-7-4-3-5-9(6-7)14-12-15-11(13)10(17-12)8(2)16/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyIFMAKKGITMQDNT-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.98
Rot. Bonds3

About 1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone

1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone (PubChem CID 46285576) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone
PubChem CID46285576
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2cccc(C)c2)nc1N
InChIInChI=1S/C12H13N3OS/c1-7-4-3-5-9(6-7)14-12-15-11(13)10(17-12)8(2)16/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyIFMAKKGITMQDNT-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone
CID 46285896
methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate
CID 106696860
[4-amino-2-(3-bromoanilino)-1,3-thiazol-5-yl]-(2,4-dimethylphenyl)methanone
CID 46285782
1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone
CID 4778814
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 141008632
4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668929
1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone
CID 47302553
ethyl 5-acetyl-2-(3-bromoanilino)-1,3-thiazole-4-carboxylate
CID 107377026
[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone
CID 46285711
[4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone
CID 46285574
4-methyl-2-(4-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152942

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone (CID 46285576) is 1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(Nc2cccc(C)c2)nc1N.
What is the InChIKey of 1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is IFMAKKGITMQDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-7-4-3-5-9(6-7)14-12-15-11(13)10(17-12)8(2)16/h3-6H,13H2,1-2H3,(H,14,15).
What are the key properties of 1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone?
1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 247.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 46285576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).