[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

C21H21NO4S — CID 25257690

IUPAC[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCCc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)cs2)cc1
InChIInChI=1S/C21H21NO4S/c1-5-13-6-8-14(9-7-13)21-22-16(12-27-21)19(23)15-10-17(24-2)20(26-4)18(11-15)25-3/h6-12H,5H2,1-4H3
InChIKeyOGHQVBIGARGOHC-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.63
Rot. Bonds7

About [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 25257690) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID25257690
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCCc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)cs2)cc1
InChIInChI=1S/C21H21NO4S/c1-5-13-6-8-14(9-7-13)21-22-16(12-27-21)19(23)15-10-17(24-2)20(26-4)18(11-15)25-3/h6-12H,5H2,1-4H3
InChIKeyOGHQVBIGARGOHC-UHFFFAOYSA-N
XLogP4.63
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-Acetyloxy-5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]phenyl] acetate
CID 11744022
4-(3,4,5-Trimethoxybenzoyl)-2-phenylthiazole
CID 25227430
Smart-F
CID 25227431
[2-(4-Bromophenyl)-4-thiazolyl](3,4,5-trimethoxyphenyl)methanone
CID 25257458
[2-(2-Thienyl)-4-thiazolyl](3,4,5-trimethoxyphenyl)methanone
CID 25257692
(3,5-Dimethoxyphenyl)(2-phenyl-4-thiazolyl)methanone
CID 25258606
[2-(4-Methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25258609
[2-(2-Fluorophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25258610
[2-(3-Fluorophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25258829
[2-(3,4-Dimethoxyphenyl)-4-thiazolyl](3,4,5-trimethoxyphenyl)methanone
CID 25258830
[2-(4-Nitrophenyl)-4-thiazolyl](3,4,5-trimethoxyphenyl)methanone
CID 25258831
4-[4-(3,4,5-Trimethoxybenzoyl)-2-thiazolyl]benzonitrile
CID 25258832

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 25257690) is [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is CCc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)cs2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is OGHQVBIGARGOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-5-13-6-8-14(9-7-13)21-22-16(12-27-21)19(23)15-10-17(24-2)20(26-4)18(11-15)25-3/h6-12H,5H2,1-4H3.
What are the key properties of [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 383.47 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 25257690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).