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

C12H14N2OS — CID 3795859

IUPAC1-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC2=NCC(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)
InChIKeyWENWMLIILWNSTP-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.79
Rot. Bonds2

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

1-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone (PubChem CID 3795859) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone
PubChem CID3795859
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC2=NCC(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)
InChIKeyWENWMLIILWNSTP-UHFFFAOYSA-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

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Related Compounds

N-(4-acetylphenyl)-2-carbamoylthioacetamide
CID 235402
1-{4-[(5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl}ethan-1-one
CID 2384537
7-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 135858320
1-[4-[(4-Methyl-3-propan-2-yl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone
CID 2085414
1-(4-{[4-Methyl-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]amino}phenyl)ethan-1-one
CID 2140685
N-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 2228977
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2532351
N-(4-Acetyl-phenyl)-2-(3-methyl-2-methylimino-4-oxo-thiazolidin-5-yl)-acetamide
CID 2938655
N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 2999861
1-{3-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl}ethanone
CID 3612852
(E)-3-(4-tert-butylphenyl)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]prop-2-en-1-one
CID 5884233
(E)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one
CID 5995442

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone (CID 3795859) is 1-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone is CC(=O)c1ccc(NC2=NCC(C)S2)cc1.
What is the InChIKey of 1-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The InChIKey is WENWMLIILWNSTP-UHFFFAOYSA-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).
What are the key properties of 1-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone?
1-[4-[(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-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 3795859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).