1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol

C18H18N2O3S — CID 46944159

IUPAC1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol
SMILESCOc1ccc(-c2csc(C(C)(O)c3ccncc3)n2)cc1OC
InChIInChI=1S/C18H18N2O3S/c1-18(21,13-6-8-19-9-7-13)17-20-14(11-24-17)12-4-5-15(22-2)16(10-12)23-3/h4-11,21H,1-3H3
InChIKeyBTWKUXJOYMWYBY-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.48
Rot. Bonds5

About 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol

1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol (PubChem CID 46944159) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol
PubChem CID46944159
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol
SMILESCOc1ccc(-c2csc(C(C)(O)c3ccncc3)n2)cc1OC
InChIInChI=1S/C18H18N2O3S/c1-18(21,13-6-8-19-9-7-13)17-20-14(11-24-17)12-4-5-15(22-2)16(10-12)23-3/h4-11,21H,1-3H3
InChIKeyBTWKUXJOYMWYBY-UHFFFAOYSA-N
XLogP3.48
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol?
The IUPAC name of 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol (CID 46944159) is 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol.
What is the SMILES notation for 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol?
The canonical SMILES for 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol is COc1ccc(-c2csc(C(C)(O)c3ccncc3)n2)cc1OC.
What is the InChIKey of 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol?
The InChIKey is BTWKUXJOYMWYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-18(21,13-6-8-19-9-7-13)17-20-14(11-24-17)12-4-5-15(22-2)16(10-12)23-3/h4-11,21H,1-3H3.
What are the key properties of 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol?
1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol has a molecular weight of 342.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanol is sourced from PubChem (CID 46944159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).