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

C14H17NO2S — CID 145341916

IUPAC2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
SMILESCCCc1csc(-c2cccc(OC)c2OC)n1
InChIInChI=1S/C14H17NO2S/c1-4-6-10-9-18-14(15-10)11-7-5-8-12(16-2)13(11)17-3/h5,7-9H,4,6H2,1-3H3
InChIKeyPLKZQKUGHDELSS-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.78
Rot. Bonds5

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

2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole (PubChem CID 145341916) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
PubChem CID145341916
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
SMILESCCCc1csc(-c2cccc(OC)c2OC)n1
InChIInChI=1S/C14H17NO2S/c1-4-6-10-9-18-14(15-10)11-7-5-8-12(16-2)13(11)17-3/h5,7-9H,4,6H2,1-3H3
InChIKeyPLKZQKUGHDELSS-UHFFFAOYSA-N
XLogP3.78
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole (CID 145341916) is 2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole is CCCc1csc(-c2cccc(OC)c2OC)n1.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole?
The InChIKey is PLKZQKUGHDELSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-4-6-10-9-18-14(15-10)11-7-5-8-12(16-2)13(11)17-3/h5,7-9H,4,6H2,1-3H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole?
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole has a molecular weight of 263.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole is sourced from PubChem (CID 145341916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).