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

C16H15N3OS2 — CID 51132603

IUPAC1-[4-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(Nc3nc(C)cs3)cc2)nc1C
InChIInChI=1S/C16H15N3OS2/c1-9-8-21-16(17-9)19-13-6-4-12(5-7-13)15-18-10(2)14(22-15)11(3)20/h4-8H,1-3H3,(H,17,19)
InChIKeySAJHZPDMLJABQV-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.83
Rot. Bonds4

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

1-[4-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 51132603) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-[4-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-5-yl]ethanone
PubChem CID51132603
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name1-[4-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(Nc3nc(C)cs3)cc2)nc1C
InChIInChI=1S/C16H15N3OS2/c1-9-8-21-16(17-9)19-13-6-4-12(5-7-13)15-18-10(2)14(22-15)11(3)20/h4-8H,1-3H3,(H,17,19)
InChIKeySAJHZPDMLJABQV-UHFFFAOYSA-N
XLogP4.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 169101363
1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 9173873
4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde
CID 143281341
[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate
CID 174459301
2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride
CID 119321233
N-[[5-[2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 52875608
1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 66481650
2-[4-(2,2-dimethylpropanoylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39163891
2-hydroxy-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]cyclopentane-1-carboxamide
CID 110015743
2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]phenol
CID 53439056
N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 33153477
4-methyl-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 53369718

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-5-yl]ethanone (CID 51132603) is 1-[4-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(-c2ccc(Nc3nc(C)cs3)cc2)nc1C.
What is the InChIKey of 1-[4-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is SAJHZPDMLJABQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-9-8-21-16(17-9)19-13-6-4-12(5-7-13)15-18-10(2)14(22-15)11(3)20/h4-8H,1-3H3,(H,17,19).
What are the key properties of 1-[4-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 329.45 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 51132603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).