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

C22H18N2O2S — CID 51360478

IUPAC4-(2-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C22H18N2O2S/c1-25-21-10-6-5-9-19(21)20-15-27-22(24-20)23-16-11-13-18(14-12-16)26-17-7-3-2-4-8-17/h2-15H,1H3,(H,23,24)
InChIKeyQCNGIJIVWHSJHP-UHFFFAOYSA-N
MW374.47 g/mol
LogP6.35
Rot. Bonds6

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

4-(2-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 51360478) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
PubChem CID51360478
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name4-(2-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C22H18N2O2S/c1-25-21-10-6-5-9-19(21)20-15-27-22(24-20)23-16-11-13-18(14-12-16)26-17-7-3-2-4-8-17/h2-15H,1H3,(H,23,24)
InChIKeyQCNGIJIVWHSJHP-UHFFFAOYSA-N
XLogP6.35
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine (CID 51360478) is 4-(2-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine is COc1ccccc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is QCNGIJIVWHSJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-25-21-10-6-5-9-19(21)20-15-27-22(24-20)23-16-11-13-18(14-12-16)26-17-7-3-2-4-8-17/h2-15H,1H3,(H,23,24).
What are the key properties of 4-(2-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
4-(2-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 374.47 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 51360478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).