2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole

C12H13NO2S — CID 116868425

IUPAC2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole
SMILESCOc1cc(C)c(-c2nccs2)cc1OC
InChIInChI=1S/C12H13NO2S/c1-8-6-10(14-2)11(15-3)7-9(8)12-13-4-5-16-12/h4-7H,1-3H3
InChIKeyIUMJRWAEABCUGE-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.14
Rot. Bonds3

About 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole

2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole (PubChem CID 116868425) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole
PubChem CID116868425
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole
SMILESCOc1cc(C)c(-c2nccs2)cc1OC
InChIInChI=1S/C12H13NO2S/c1-8-6-10(14-2)11(15-3)7-9(8)12-13-4-5-16-12/h4-7H,1-3H3
InChIKeyIUMJRWAEABCUGE-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-dichloro-4-methoxyphenyl)-1,3-thiazole
CID 116868419
2-(3-methylnaphthalen-2-yl)-1,3-thiazole
CID 144827161
2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole
CID 169050195
4-methyl-3-(1,3-thiazol-2-yl)aniline
CID 57151166
2-(4-bromo-2-methylphenyl)-1,3-thiazole
CID 57201412
2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde
CID 116889414
2-(2-chloro-4-methoxyphenyl)-1,3-thiazole
CID 116868424
4-(4,5-dimethoxy-2-methylphenyl)-2-ethyl-1,3-thiazole
CID 116970071
4-methoxy-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazole
CID 116891772
4-(4,5-dimethoxy-2-methylphenyl)-2-methylpyrimidine
CID 116903924
2-methoxy-5-methyl-4-thiophen-2-ylaniline
CID 90752833
5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid
CID 171617965

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole (CID 116868425) is 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole is COc1cc(C)c(-c2nccs2)cc1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole?
The InChIKey is IUMJRWAEABCUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-8-6-10(14-2)11(15-3)7-9(8)12-13-4-5-16-12/h4-7H,1-3H3.
What are the key properties of 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole?
2-(4,5-dimethoxy-2-methylphenyl)-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-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 116868425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).