1-[2-(3-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone

C13H14N2O2S — CID 64544622

IUPAC1-[2-(3-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone
SMILESCOc1cccc(N(C)c2nc(C(C)=O)cs2)c1
InChIInChI=1S/C13H14N2O2S/c1-9(16)12-8-18-13(14-12)15(2)10-5-4-6-11(7-10)17-3/h4-8H,1-3H3
InChIKeyGEEZUIJXDFMYBQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.12
Rot. Bonds4

About 1-[2-(3-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone

1-[2-(3-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone (PubChem CID 64544622) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-[2-(3-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone
PubChem CID64544622
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1-[2-(3-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone
SMILESCOc1cccc(N(C)c2nc(C(C)=O)cs2)c1
InChIInChI=1S/C13H14N2O2S/c1-9(16)12-8-18-13(14-12)15(2)10-5-4-6-11(7-10)17-3/h4-8H,1-3H3
InChIKeyGEEZUIJXDFMYBQ-UHFFFAOYSA-N
XLogP3.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697183
1-[2-(2-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone
CID 64543031
1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone
CID 64543825
1-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanone
CID 64544006
N-[4-[(Z)-methoxyiminomethyl]-1,3-thiazol-2-yl]-N-(3-methoxyphenyl)acetamide
CID 27718171
4-cyclopropyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid
CID 63917791
3-methoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110723491
1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544014
1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone
CID 116890216
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 55113856
1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one
CID 115938973

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(3-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone (CID 64544622) is 1-[2-(3-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(3-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(3-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone is COc1cccc(N(C)c2nc(C(C)=O)cs2)c1.
What is the InChIKey of 1-[2-(3-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone?
The InChIKey is GEEZUIJXDFMYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9(16)12-8-18-13(14-12)15(2)10-5-4-6-11(7-10)17-3/h4-8H,1-3H3.
What are the key properties of 1-[2-(3-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone?
1-[2-(3-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone has a molecular weight of 262.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64544622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).