2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole

C18H17NO3S — CID 9452291

IUPAC2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccccc3OC)cs2)cc1OC
InChIInChI=1S/C18H17NO3S/c1-20-15-7-5-4-6-13(15)14-11-23-18(19-14)12-8-9-16(21-2)17(10-12)22-3/h4-11H,1-3H3
InChIKeyCUWNNXCQMNACPM-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.50
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole

2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole (PubChem CID 9452291) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
PubChem CID9452291
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccccc3OC)cs2)cc1OC
InChIInChI=1S/C18H17NO3S/c1-20-15-7-5-4-6-13(15)14-11-23-18(19-14)12-8-9-16(21-2)17(10-12)22-3/h4-11H,1-3H3
InChIKeyCUWNNXCQMNACPM-UHFFFAOYSA-N
XLogP4.50
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667839
2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 18707182
2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 79831089
4-(2-methoxyphenyl)-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
CID 103597457
4-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 8963152
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
2-amino-4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol;dihydrochloride
CID 18707378
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 46339236
2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole
CID 112690133
4-(2-methoxyphenyl)-2-(3-methylthiophen-2-yl)-1,3-thiazole
CID 35618487
6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide
CID 142633358

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole (CID 9452291) is 2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2nc(-c3ccccc3OC)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole?
The InChIKey is CUWNNXCQMNACPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-20-15-7-5-4-6-13(15)14-11-23-18(19-14)12-8-9-16(21-2)17(10-12)22-3/h4-11H,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole?
2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole has a molecular weight of 327.41 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 9452291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).