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

C17H16N2O2S — CID 31263481

IUPAC4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(Cc3ccccn3)n2)cc1OC
InChIInChI=1S/C17H16N2O2S/c1-20-15-7-6-12(9-16(15)21-2)14-11-22-17(19-14)10-13-5-3-4-8-18-13/h3-9,11H,10H2,1-2H3
InChIKeyOHDQSTPZPDUSRM-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.81
Rot. Bonds5

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

4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole (PubChem CID 31263481) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole
PubChem CID31263481
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(Cc3ccccn3)n2)cc1OC
InChIInChI=1S/C17H16N2O2S/c1-20-15-7-6-12(9-16(15)21-2)14-11-22-17(19-14)10-13-5-3-4-8-18-13/h3-9,11H,10H2,1-2H3
InChIKeyOHDQSTPZPDUSRM-UHFFFAOYSA-N
XLogP3.81
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole with MolForge

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Related Compounds

4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263387
[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970172
4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
3-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]benzonitrile
CID 63152380
2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 18707182
5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 53331379
2-[4-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3468254
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
3-(4-bromophenyl)-5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,2,4-oxadiazole
CID 50838653
2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole
CID 2747349
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 46339236

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole (CID 31263481) is 4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole is COc1ccc(-c2csc(Cc3ccccn3)n2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole?
The InChIKey is OHDQSTPZPDUSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-20-15-7-6-12(9-16(15)21-2)14-11-22-17(19-14)10-13-5-3-4-8-18-13/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole?
4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole has a molecular weight of 312.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 31263481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).