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

C14H17NO2S — CID 112690133

IUPAC2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2nc(C(C)C)cs2)cc1OC
InChIInChI=1S/C14H17NO2S/c1-9(2)11-8-18-14(15-11)10-5-6-12(16-3)13(7-10)17-4/h5-9H,1-4H3
InChIKeyRTSHIQPUAYENOA-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.95
Rot. Bonds4

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

2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole (PubChem CID 112690133) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole
PubChem CID112690133
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2nc(C(C)C)cs2)cc1OC
InChIInChI=1S/C14H17NO2S/c1-9(2)11-8-18-14(15-11)10-5-6-12(16-3)13(7-10)17-4/h5-9H,1-4H3
InChIKeyRTSHIQPUAYENOA-UHFFFAOYSA-N
XLogP3.95
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82515888
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 46674241
2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
CID 82152397
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60640937
4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 114016215
1-[2-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 65096351
5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152400
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbothioamide
CID 82515938
2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 9452291
2-(3-chloro-4-methylphenyl)-4-propan-2-yl-1,3-thiazole
CID 165458129

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole (CID 112690133) is 2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole is COc1ccc(-c2nc(C(C)C)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is RTSHIQPUAYENOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-9(2)11-8-18-14(15-11)10-5-6-12(16-3)13(7-10)17-4/h5-9H,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole?
2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole has a molecular weight of 263.36 g/mol, XLogP of 3.95, 4 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-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 112690133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).