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

C12H13NO3S — CID 5239941

IUPAC4-(2,3,4-trimethoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2cscn2)c(OC)c1OC
InChIInChI=1S/C12H13NO3S/c1-14-10-5-4-8(9-6-17-7-13-9)11(15-2)12(10)16-3/h4-7H,1-3H3
InChIKeyRHNSYJHZNCXEDW-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.84
Rot. Bonds4

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

4-(2,3,4-trimethoxyphenyl)-1,3-thiazole (PubChem CID 5239941) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-(2,3,4-trimethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,3,4-trimethoxyphenyl)-1,3-thiazole
PubChem CID5239941
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name4-(2,3,4-trimethoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2cscn2)c(OC)c1OC
InChIInChI=1S/C12H13NO3S/c1-14-10-5-4-8(9-6-17-7-13-9)11(15-2)12(10)16-3/h4-7H,1-3H3
InChIKeyRHNSYJHZNCXEDW-UHFFFAOYSA-N
XLogP2.84
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole
CID 4984858
4-(4-fluoro-2-methoxyphenyl)-1,3-thiazole
CID 177183935
4-(2-methoxy-5-propylphenyl)-1,3-thiazole
CID 3562568
4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 4262449
4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid
CID 97033863
4-[2-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]ethyl]-1,3-thiazole
CID 56877204
4-(2-chloro-4-methoxyphenyl)-1,3-thiazole
CID 4998959
4-(2,3-dimethoxyphenoxy)-1,3-thiazole
CID 141204120
4-(2,4-dichlorophenyl)-1,3-thiazole
CID 4009904
4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole
CID 175271280
[2-acetyloxy-3-(1,3-thiazol-4-yl)phenyl] acetate
CID 54040681
2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole
CID 116968047

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4-trimethoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-(2,3,4-trimethoxyphenyl)-1,3-thiazole (CID 5239941) is 4-(2,3,4-trimethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2,3,4-trimethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-(2,3,4-trimethoxyphenyl)-1,3-thiazole is COc1ccc(-c2cscn2)c(OC)c1OC.
What is the InChIKey of 4-(2,3,4-trimethoxyphenyl)-1,3-thiazole?
The InChIKey is RHNSYJHZNCXEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-14-10-5-4-8(9-6-17-7-13-9)11(15-2)12(10)16-3/h4-7H,1-3H3.
What are the key properties of 4-(2,3,4-trimethoxyphenyl)-1,3-thiazole?
4-(2,3,4-trimethoxyphenyl)-1,3-thiazole has a molecular weight of 251.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4-trimethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 5239941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).