1-amino-3-[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]propan-2-one

C19H19N3OS — CID 164964094

IUPAC1-amino-3-[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]propan-2-one
SMILESCc1cc(-c2cccc(-c3csc(CC(=O)CN)n3)c2)cc(C)n1
InChIInChI=1S/C19H19N3OS/c1-12-6-16(7-13(2)21-12)14-4-3-5-15(8-14)18-11-24-19(22-18)9-17(23)10-20/h3-8,11H,9-10,20H2,1-2H3
InChIKeyCFWHDICXXFXZIV-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.56
Rot. Bonds5

About 1-amino-3-[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]propan-2-one

1-amino-3-[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]propan-2-one (PubChem CID 164964094) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-amino-3-[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-amino-3-[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]propan-2-one
PubChem CID164964094
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name1-amino-3-[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]propan-2-one
SMILESCc1cc(-c2cccc(-c3csc(CC(=O)CN)n3)c2)cc(C)n1
InChIInChI=1S/C19H19N3OS/c1-12-6-16(7-13(2)21-12)14-4-3-5-15(8-14)18-11-24-19(22-18)9-17(23)10-20/h3-8,11H,9-10,20H2,1-2H3
InChIKeyCFWHDICXXFXZIV-UHFFFAOYSA-N
XLogP3.56
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-amino-3-[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]propan-2-one 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

1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966447
2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 82154910
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 9173965
2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 82118916
2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-1-(azepan-1-yl)ethanone
CID 94761011
3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 107504187
3-[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]aniline
CID 62474009
3-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline
CID 61308455
5-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]methyl]furan-2-carboxylic acid
CID 82154935
3-methylsulfonyl-N-[2-oxo-3-[4-(3-phenylphenyl)-1,3-thiazol-2-yl]propyl]benzamide
CID 159737343
2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 79020489
3-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331130

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]propan-2-one?
The IUPAC name of 1-amino-3-[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]propan-2-one (CID 164964094) is 1-amino-3-[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]propan-2-one.
What is the SMILES notation for 1-amino-3-[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]propan-2-one?
The canonical SMILES for 1-amino-3-[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]propan-2-one is Cc1cc(-c2cccc(-c3csc(CC(=O)CN)n3)c2)cc(C)n1.
What is the InChIKey of 1-amino-3-[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]propan-2-one?
The InChIKey is CFWHDICXXFXZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-12-6-16(7-13(2)21-12)14-4-3-5-15(8-14)18-11-24-19(22-18)9-17(23)10-20/h3-8,11H,9-10,20H2,1-2H3.
What are the key properties of 1-amino-3-[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]propan-2-one?
1-amino-3-[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]propan-2-one has a molecular weight of 337.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]propan-2-one is sourced from PubChem (CID 164964094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).