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

C18H17NOS — CID 134148425

IUPAC4-[4-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole
SMILESCOc1cccc(-c2ccc(-c3nc(C)sc3C)cc2)c1
InChIInChI=1S/C18H17NOS/c1-12-18(19-13(2)21-12)15-9-7-14(8-10-15)16-5-4-6-17(11-16)20-3/h4-11H,1-3H3
InChIKeyKYBWJRZPOSXFDH-UHFFFAOYSA-N
MW295.41 g/mol
LogP5.10
Rot. Bonds3

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

4-[4-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole (PubChem CID 134148425) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole
PubChem CID134148425
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name4-[4-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole
SMILESCOc1cccc(-c2ccc(-c3nc(C)sc3C)cc2)c1
InChIInChI=1S/C18H17NOS/c1-12-18(19-13(2)21-12)15-9-7-14(8-10-15)16-5-4-6-17(11-16)20-3/h4-11H,1-3H3
InChIKeyKYBWJRZPOSXFDH-UHFFFAOYSA-N
XLogP5.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.41
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole?
The IUPAC name of 4-[4-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole (CID 134148425) is 4-[4-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole?
The canonical SMILES for 4-[4-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole is COc1cccc(-c2ccc(-c3nc(C)sc3C)cc2)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole?
The InChIKey is KYBWJRZPOSXFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-12-18(19-13(2)21-12)15-9-7-14(8-10-15)16-5-4-6-17(11-16)20-3/h4-11H,1-3H3.
What are the key properties of 4-[4-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole?
4-[4-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole has a molecular weight of 295.41 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenyl)phenyl]-2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 134148425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).