2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole

C16H14N2O2S — CID 18707182

IUPAC2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccccn3)cs2)cc1OC
InChIInChI=1S/C16H14N2O2S/c1-19-14-7-6-11(9-15(14)20-2)16-18-13(10-21-16)12-5-3-4-8-17-12/h3-10H,1-2H3
InChIKeyMJGJVPPBKBAGQZ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.89
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole

2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole (PubChem CID 18707182) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
PubChem CID18707182
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccccn3)cs2)cc1OC
InChIInChI=1S/C16H14N2O2S/c1-19-14-7-6-11(9-15(14)20-2)16-18-13(10-21-16)12-5-3-4-8-17-12/h3-10H,1-2H3
InChIKeyMJGJVPPBKBAGQZ-UHFFFAOYSA-N
XLogP3.89
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.89
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
2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 9452291
6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide
CID 142633358
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263481
2-(4-methylsulfanylphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 177474050
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)aniline
CID 7148715
2-amino-4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol;dihydrochloride
CID 18707378
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 16567274
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 46339236
2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110317920

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole (CID 18707182) is 2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole is COc1ccc(-c2nc(-c3ccccn3)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole?
The InChIKey is MJGJVPPBKBAGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-19-14-7-6-11(9-15(14)20-2)16-18-13(10-21-16)12-5-3-4-8-17-12/h3-10H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole?
2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole has a molecular weight of 298.37 g/mol, XLogP of 3.89, 4 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-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 18707182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).