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

C14H16N2OS — CID 9173873

IUPAC1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(N(C)C)cc2)nc1C
InChIInChI=1S/C14H16N2OS/c1-9-13(10(2)17)18-14(15-9)11-5-7-12(8-6-11)16(3)4/h5-8H,1-4H3
InChIKeyRQGXJDPZJWXHNI-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.39
Rot. Bonds3

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

1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 9173873) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID9173873
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(N(C)C)cc2)nc1C
InChIInChI=1S/C14H16N2OS/c1-9-13(10(2)17)18-14(15-9)11-5-7-12(8-6-11)16(3)4/h5-8H,1-4H3
InChIKeyRQGXJDPZJWXHNI-UHFFFAOYSA-N
XLogP3.39
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19965147
4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde
CID 143281341
N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 78784342
[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate
CID 174459301
1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 66481650
4-tert-butyl-2-[4-(dimethylamino)phenyl]-1,3-thiazole-5-carboxylic acid
CID 114360581
methyl 4-chloro-2-[4-(dimethylamino)phenyl]-1,3-thiazole-5-carboxylate
CID 79073332
1-[4-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-5-yl]ethanone
CID 51132603
1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 61288983
1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone
CID 66647115
1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanone
CID 61059598
N-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 82161324

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 9173873) is 1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(-c2ccc(N(C)C)cc2)nc1C.
What is the InChIKey of 1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is RQGXJDPZJWXHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-13(10(2)17)18-14(15-9)11-5-7-12(8-6-11)16(3)4/h5-8H,1-4H3.
What are the key properties of 1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 260.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 9173873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).