2-(3,4-dimethoxyphenyl)-4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole

C18H18N2O3S — CID 75464211

IUPAC2-(3,4-dimethoxyphenyl)-4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(COc3ccc(C)cn3)cs2)cc1OC
InChIInChI=1S/C18H18N2O3S/c1-12-4-7-17(19-9-12)23-10-14-11-24-18(20-14)13-5-6-15(21-2)16(8-13)22-3/h4-9,11H,10H2,1-3H3
InChIKeyGVHNVUPKSJDODV-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.11
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole

2-(3,4-dimethoxyphenyl)-4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole (PubChem CID 75464211) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole
PubChem CID75464211
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(3,4-dimethoxyphenyl)-4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(COc3ccc(C)cn3)cs2)cc1OC
InChIInChI=1S/C18H18N2O3S/c1-12-4-7-17(19-9-12)23-10-14-11-24-18(20-14)13-5-6-15(21-2)16(8-13)22-3/h4-9,11H,10H2,1-3H3
InChIKeyGVHNVUPKSJDODV-UHFFFAOYSA-N
XLogP4.11
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 22682050
2-[2-[4-methoxy-3-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20990950
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235380
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(4-methylphenoxy)butyl]acetamide
CID 55799785
2-(3,4-dimethoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 8648413
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60640937
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 38843875
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-hydroxybenzoate
CID 7866611
2-[2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20990309
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 31460895

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole (CID 75464211) is 2-(3,4-dimethoxyphenyl)-4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole is COc1ccc(-c2nc(COc3ccc(C)cn3)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole?
The InChIKey is GVHNVUPKSJDODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-4-7-17(19-9-12)23-10-14-11-24-18(20-14)13-5-6-15(21-2)16(8-13)22-3/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole?
2-(3,4-dimethoxyphenyl)-4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole has a molecular weight of 342.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole is sourced from PubChem (CID 75464211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).