3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole

C19H19NO4S — CID 91024089

IUPAC3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)sn2)cc1
InChIInChI=1S/C19H19NO4S/c1-21-14-7-5-12(6-8-14)15-11-18(25-20-15)13-9-16(22-2)19(24-4)17(10-13)23-3/h5-11H,1-4H3
InChIKeyQGQPIBPGOXPLBV-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.51
Rot. Bonds6

About 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole

3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole (PubChem CID 91024089) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
PubChem CID91024089
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)sn2)cc1
InChIInChI=1S/C19H19NO4S/c1-21-14-7-5-12(6-8-14)15-11-18(25-20-15)13-9-16(22-2)19(24-4)17(10-13)23-3/h5-11H,1-4H3
InChIKeyQGQPIBPGOXPLBV-UHFFFAOYSA-N
XLogP4.51
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenol
CID 136601674
methyl 2,6-dimethoxy-4-[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]benzoate
CID 91487792
3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
CID 90771729
3-pyridin-3-yl-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
CID 91111160
3-(4-bromophenyl)-5-(2,3,5-trimethoxyphenyl)-1,2-thiazole
CID 91564289
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91309550
ethyl-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenoxy]phosphinic acid
CID 90769198
5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole
CID 91165486
4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430230
3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
CID 53388353
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
CID 126672991
3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole
CID 121415645

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole (CID 91024089) is 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole is COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)sn2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole?
The InChIKey is QGQPIBPGOXPLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-21-14-7-5-12(6-8-14)15-11-18(25-20-15)13-9-16(22-2)19(24-4)17(10-13)23-3/h5-11H,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole?
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole has a molecular weight of 357.43 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole is sourced from PubChem (CID 91024089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).