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

C14H17NO2S — CID 112692422

IUPAC2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
SMILESCCCc1csc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C14H17NO2S/c1-4-5-11-9-18-14(15-11)10-6-7-12(16-2)13(8-10)17-3/h6-9H,4-5H2,1-3H3
InChIKeyWCTSNLQVGVLDTR-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.78
Rot. Bonds5

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

2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole (PubChem CID 112692422) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
PubChem CID112692422
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
SMILESCCCc1csc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C14H17NO2S/c1-4-5-11-9-18-14(15-11)10-6-7-12(16-2)13(8-10)17-3/h6-9H,4-5H2,1-3H3
InChIKeyWCTSNLQVGVLDTR-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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Related Compounds

N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60640937
4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 107923260
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18707228
N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 4826071
2-(3-bromo-4-methoxyphenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116888995
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 7119085
2-(3,4-dimethoxyphenyl)-4-[(2,3,5,6-tetramethylphenyl)sulfanylmethyl]-1,3-thiazole
CID 7468441
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine
CID 8558646
2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 22692340
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole (CID 112692422) is 2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole is CCCc1csc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole?
The InChIKey is WCTSNLQVGVLDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-4-5-11-9-18-14(15-11)10-6-7-12(16-2)13(8-10)17-3/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole?
2-(3,4-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-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole is sourced from PubChem (CID 112692422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).