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

C17H21NO4S — CID 125138855

IUPAC4-(2,4-dimethoxyphenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(C3(OC)CCOCC3)n2)c(OC)c1
InChIInChI=1S/C17H21NO4S/c1-19-12-4-5-13(15(10-12)20-2)14-11-23-16(18-14)17(21-3)6-8-22-9-7-17/h4-5,10-11H,6-9H2,1-3H3
InChIKeyMUAJKORCBDSXKR-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.48
Rot. Bonds5

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

4-(2,4-dimethoxyphenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole (PubChem CID 125138855) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole
PubChem CID125138855
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name4-(2,4-dimethoxyphenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(C3(OC)CCOCC3)n2)c(OC)c1
InChIInChI=1S/C17H21NO4S/c1-19-12-4-5-13(15(10-12)20-2)14-11-23-16(18-14)17(21-3)6-8-22-9-7-17/h4-5,10-11H,6-9H2,1-3H3
InChIKeyMUAJKORCBDSXKR-UHFFFAOYSA-N
XLogP3.48
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyoxan-4-yl)-4-(2-methyl-3-pyridinyl)-1,3-thiazole
CID 122154767
4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole
CID 116782540
[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]azanide
CID 161351760
3-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-4-methyl-1,2,5-oxadiazole
CID 122154778
4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]oxane-4-carbonitrile
CID 67324063
4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 23408094
1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120580478
4-(2,4-dimethoxyphenyl)-2-methyl-1,3-thiazole;N,2-dimethylpropanamide
CID 162733084
5-(2,4-dimethoxyphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53112506
3,5-bis(2,4-dimethoxyphenyl)-1,2-oxazole
CID 19586357
1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116774588
4-(2-bromophenyl)-2-(1-methoxycyclopentyl)-1,3-thiazole
CID 104612119

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole (CID 125138855) is 4-(2,4-dimethoxyphenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole is COc1ccc(-c2csc(C3(OC)CCOCC3)n2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole?
The InChIKey is MUAJKORCBDSXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-19-12-4-5-13(15(10-12)20-2)14-11-23-16(18-14)17(21-3)6-8-22-9-7-17/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole?
4-(2,4-dimethoxyphenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole has a molecular weight of 335.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole is sourced from PubChem (CID 125138855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).