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

C12H14N2OS — CID 7084301

IUPAC1-[4-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC2=NC[C@@H](C)S2)cc1
InChIInChI=1S/C12H14N2OS/c1-8-7-13-12(16-8)14-11-5-3-10(4-6-11)9(2)15/h3-6,8H,7H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyWENWMLIILWNSTP-MRVPVSSYSA-N
MW234.32 g/mol
LogP2.79
Rot. Bonds2

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

1-[4-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethanone (PubChem CID 7084301) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-[4-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethanone
PubChem CID7084301
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-[4-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC2=NC[C@@H](C)S2)cc1
InChIInChI=1S/C12H14N2OS/c1-8-7-13-12(16-8)14-11-5-3-10(4-6-11)9(2)15/h3-6,8H,7H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyWENWMLIILWNSTP-MRVPVSSYSA-N
XLogP2.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 4658496
1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone
CID 83188479
N-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 106284715
(5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 705034
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43385958
diethyl 2-[[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]iminomethyl]propanedioate
CID 75650622
4-[(2Z)-2-[1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylidene]hydrazinyl]benzoic acid
CID 9194583
3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 3771432
1-[4-[4-(dimethylamino)anilino]phenyl]ethanone
CID 82536662
ethyl N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]carbamate
CID 9211812
N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2826648
N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 7062731

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethanone (CID 7084301) is 1-[4-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethanone is CC(=O)c1ccc(NC2=NC[C@@H](C)S2)cc1.
What is the InChIKey of 1-[4-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The InChIKey is WENWMLIILWNSTP-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-7-13-12(16-8)14-11-5-3-10(4-6-11)9(2)15/h3-6,8H,7H2,1-2H3,(H,13,14)/t8-/m1/s1.
What are the key properties of 1-[4-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethanone?
1-[4-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethanone has a molecular weight of 234.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 7084301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).