1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone

C14H16N2O2S — CID 79363807

IUPAC1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCOc1cccc(CNc2snc(C)c2C(C)=O)c1
InChIInChI=1S/C14H16N2O2S/c1-9-13(10(2)17)14(19-16-9)15-8-11-5-4-6-12(7-11)18-3/h4-7,15H,8H2,1-3H3
InChIKeyMDDXNMNGYDHSGM-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.27
Rot. Bonds5

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

1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone (PubChem CID 79363807) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
PubChem CID79363807
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCOc1cccc(CNc2snc(C)c2C(C)=O)c1
InChIInChI=1S/C14H16N2O2S/c1-9-13(10(2)17)14(19-16-9)15-8-11-5-4-6-12(7-11)18-3/h4-7,15H,8H2,1-3H3
InChIKeyMDDXNMNGYDHSGM-UHFFFAOYSA-N
XLogP3.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79376448
5-[(3-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 64630076
1-[5-[(2-bromophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363518
1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79364544
N-[(3-butoxyphenyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 60517443
1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375727
N-[(3-methoxyphenyl)methyl]-3,4-dimethylaniline;oxalic acid
CID 17367859
3-[(3-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62709440
3-[(3-methoxyphenyl)methylamino]-2-methylbenzoic acid
CID 17059607
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide
CID 53169243
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
4-[(3-methoxyphenyl)methylamino]butan-2-one
CID 115235732

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone (CID 79363807) is 1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone is COc1cccc(CNc2snc(C)c2C(C)=O)c1.
What is the InChIKey of 1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The InChIKey is MDDXNMNGYDHSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-13(10(2)17)14(19-16-9)15-8-11-5-4-6-12(7-11)18-3/h4-7,15H,8H2,1-3H3.
What are the key properties of 1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone has a molecular weight of 276.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79363807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).