4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine

C22H18N2OS — CID 88568617

IUPAC4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(N)sc2-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H18N2OS/c1-25-19-13-11-17(12-14-19)20-21(26-22(23)24-20)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-14H,1H3,(H2,23,24)
InChIKeyIKZJEGQIWZCKND-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.73
Rot. Bonds4

About 4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine

4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine (PubChem CID 88568617) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
PubChem CID88568617
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Name4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(N)sc2-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H18N2OS/c1-25-19-13-11-17(12-14-19)20-21(26-22(23)24-20)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-14H,1H3,(H2,23,24)
InChIKeyIKZJEGQIWZCKND-UHFFFAOYSA-N
XLogP5.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine (CID 88568617) is 4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2nc(N)sc2-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine?
The InChIKey is IKZJEGQIWZCKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-25-19-13-11-17(12-14-19)20-21(26-22(23)24-20)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-14H,1H3,(H2,23,24).
What are the key properties of 4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine has a molecular weight of 358.47 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 88568617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).