2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole

C12H13NO2S — CID 82083376

IUPAC2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
SMILESCOc1ccc(OC)c(-c2nc(C)cs2)c1
InChIInChI=1S/C12H13NO2S/c1-8-7-16-12(13-8)10-6-9(14-2)4-5-11(10)15-3/h4-7H,1-3H3
InChIKeyKHUMMYNYXDKQKG-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.14
Rot. Bonds3

About 2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole

2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole (PubChem CID 82083376) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
PubChem CID82083376
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
SMILESCOc1ccc(OC)c(-c2nc(C)cs2)c1
InChIInChI=1S/C12H13NO2S/c1-8-7-16-12(13-8)10-6-9(14-2)4-5-11(10)15-3/h4-7H,1-3H3
InChIKeyKHUMMYNYXDKQKG-UHFFFAOYSA-N
XLogP3.14
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 39354147
2-(2,5-dimethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887517
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole
CID 63383412
2-(2,4-dimethoxy-6-methylphenyl)-4-methyl-1,3-thiazole
CID 116891940
1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544101
5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 43364015
6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
CID 657928
5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
CID 136531235
2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-ol
CID 116889764
4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 102703002
4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 116891909

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole (CID 82083376) is 2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole is COc1ccc(OC)c(-c2nc(C)cs2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole?
The InChIKey is KHUMMYNYXDKQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-8-7-16-12(13-8)10-6-9(14-2)4-5-11(10)15-3/h4-7H,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole?
2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole has a molecular weight of 235.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 82083376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).