4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine

C17H16N2OS — CID 4521790

IUPAC4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H16N2OS/c1-12-3-7-14(8-4-12)18-17-19-16(11-21-17)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3,(H,18,19)
InChIKeyKUSZSJKYIJJGIU-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.87
Rot. Bonds4

About 4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine

4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 4521790) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID4521790
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H16N2OS/c1-12-3-7-14(8-4-12)18-17-19-16(11-21-17)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3,(H,18,19)
InChIKeyKUSZSJKYIJJGIU-UHFFFAOYSA-N
XLogP4.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine (CID 4521790) is 4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is KUSZSJKYIJJGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-3-7-14(8-4-12)18-17-19-16(11-21-17)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3,(H,18,19).
What are the key properties of 4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 296.40 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4521790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).