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

C12H14N2OS — CID 3612852

IUPAC1-[3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1cccc(NC2=NCC(C)S2)c1
InChIInChI=1S/C12H14N2OS/c1-8-7-13-12(16-8)14-11-5-3-4-10(6-11)9(2)15/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyZUYWXYROQFVDKA-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.79
Rot. Bonds2

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

1-[3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone (PubChem CID 3612852) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-[3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone
PubChem CID3612852
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-[3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1cccc(NC2=NCC(C)S2)c1
InChIInChI=1S/C12H14N2OS/c1-8-7-13-12(16-8)14-11-5-3-4-10(6-11)9(2)15/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyZUYWXYROQFVDKA-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

1-{4-[(5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl}ethan-1-one
CID 2384537
N-(5-Methyl-4,5-dihydro-thiazol-2-yl)-3-nitro-benzamide
CID 24747061
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
(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
(E)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]-3-phenylprop-2-en-1-one
CID 6108700
N-[4-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide
CID 135446479
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 16307923
N-[4-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide
CID 2968139
(E)-1-[4-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]-3-(3-methylphenyl)prop-2-en-1-one
CID 6074923
2-[(3-acetylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135476892

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone (CID 3612852) is 1-[3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone is CC(=O)c1cccc(NC2=NCC(C)S2)c1.
What is the InChIKey of 1-[3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The InChIKey is ZUYWXYROQFVDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-7-13-12(16-8)14-11-5-3-4-10(6-11)9(2)15/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of 1-[3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone?
1-[3-[(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-[3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 3612852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).