1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol

C20H22N2O2S — CID 46942419

IUPAC1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)c2nc(-c3ccc(N(C)C)cc3)cs2)cc1
InChIInChI=1S/C20H22N2O2S/c1-20(23,15-7-11-17(24-4)12-8-15)19-21-18(13-25-19)14-5-9-16(10-6-14)22(2)3/h5-13,23H,1-4H3
InChIKeyRXZGZRPFYWUJAY-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.14
Rot. Bonds5

About 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol

1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol (PubChem CID 46942419) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol
PubChem CID46942419
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)c2nc(-c3ccc(N(C)C)cc3)cs2)cc1
InChIInChI=1S/C20H22N2O2S/c1-20(23,15-7-11-17(24-4)12-8-15)19-21-18(13-25-19)14-5-9-16(10-6-14)22(2)3/h5-13,23H,1-4H3
InChIKeyRXZGZRPFYWUJAY-UHFFFAOYSA-N
XLogP4.14
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol (CID 46942419) is 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol is COc1ccc(C(C)(O)c2nc(-c3ccc(N(C)C)cc3)cs2)cc1.
What is the InChIKey of 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol?
The InChIKey is RXZGZRPFYWUJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-20(23,15-7-11-17(24-4)12-8-15)19-21-18(13-25-19)14-5-9-16(10-6-14)22(2)3/h5-13,23H,1-4H3.
What are the key properties of 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol?
1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol has a molecular weight of 354.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 46942419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).