1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone

C14H15ClN2O2S — CID 110447743

IUPAC1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone
SMILESCNc1nc(-c2cc(C)c(Cl)cc2OC)c(C(C)=O)s1
InChIInChI=1S/C14H15ClN2O2S/c1-7-5-9(11(19-4)6-10(7)15)12-13(8(2)18)20-14(16-3)17-12/h5-6H,1-4H3,(H,16,17)
InChIKeyLUYILGKMYSNGJF-UHFFFAOYSA-N
MW310.81 g/mol
LogP4.02
Rot. Bonds4

About 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone

1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone (PubChem CID 110447743) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone
PubChem CID110447743
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone
SMILESCNc1nc(-c2cc(C)c(Cl)cc2OC)c(C(C)=O)s1
InChIInChI=1S/C14H15ClN2O2S/c1-7-5-9(11(19-4)6-10(7)15)12-13(8(2)18)20-14(16-3)17-12/h5-6H,1-4H3,(H,16,17)
InChIKeyLUYILGKMYSNGJF-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-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-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone
CID 82540718
1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone
CID 82541050
1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
CID 82541449
1-[2-(methylamino)-4-quinolin-8-yl-1,3-thiazol-5-yl]ethanone
CID 82540919
4-(4-chloro-2-methoxy-5-methylphenyl)phenol
CID 82039616
N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 2810041
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 3540513
2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole
CID 82135463
1-[4-[3-(dimethylamino)phenyl]-2-(methylamino)-1,3-thiazol-5-yl]ethanone
CID 82541122
1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one
CID 82540716
methyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate
CID 82549217
3-(4-chloro-2-methoxy-5-methylphenyl)-1H-indazole-7-carboxylic acid
CID 39219527

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone (CID 110447743) is 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone is CNc1nc(-c2cc(C)c(Cl)cc2OC)c(C(C)=O)s1.
What is the InChIKey of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is LUYILGKMYSNGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-7-5-9(11(19-4)6-10(7)15)12-13(8(2)18)20-14(16-3)17-12/h5-6H,1-4H3,(H,16,17).
What are the key properties of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone?
1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 310.81 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 110447743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).