4-[4-(3,4-dimethoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole

C19H19NO2S — CID 134147536

IUPAC4-[4-(3,4-dimethoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole
SMILESCOc1ccc(-c2ccc(-c3nc(C)sc3C)cc2)cc1OC
InChIInChI=1S/C19H19NO2S/c1-12-19(20-13(2)23-12)15-7-5-14(6-8-15)16-9-10-17(21-3)18(11-16)22-4/h5-11H,1-4H3
InChIKeyUDHOBLUOVHCOIB-UHFFFAOYSA-N
MW325.43 g/mol
LogP5.11
Rot. Bonds4

About 4-[4-(3,4-dimethoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole

4-[4-(3,4-dimethoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole (PubChem CID 134147536) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-[4-(3,4-dimethoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name4-[4-(3,4-dimethoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole
PubChem CID134147536
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name4-[4-(3,4-dimethoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole
SMILESCOc1ccc(-c2ccc(-c3nc(C)sc3C)cc2)cc1OC
InChIInChI=1S/C19H19NO2S/c1-12-19(20-13(2)23-12)15-7-5-14(6-8-15)16-9-10-17(21-3)18(11-16)22-4/h5-11H,1-4H3
InChIKeyUDHOBLUOVHCOIB-UHFFFAOYSA-N
XLogP5.11
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.43
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 51087
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CID 241105
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CID 9998279
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CID 10046226
CID 10046226
CID 11741253
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CID 18731901
CID 18731901
CID 24431784
CID 24431784
CID 53361673
CID 53361673
CID 53364194
CID 53364194
CID 53364199
CID 53364199
CID 53364262
CID 53364262

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dimethoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole?
The IUPAC name of 4-[4-(3,4-dimethoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole (CID 134147536) is 4-[4-(3,4-dimethoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 4-[4-(3,4-dimethoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole?
The canonical SMILES for 4-[4-(3,4-dimethoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole is COc1ccc(-c2ccc(-c3nc(C)sc3C)cc2)cc1OC.
What is the InChIKey of 4-[4-(3,4-dimethoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole?
The InChIKey is UDHOBLUOVHCOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-12-19(20-13(2)23-12)15-7-5-14(6-8-15)16-9-10-17(21-3)18(11-16)22-4/h5-11H,1-4H3.
What are the key properties of 4-[4-(3,4-dimethoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole?
4-[4-(3,4-dimethoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole has a molecular weight of 325.43 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dimethoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 134147536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).