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

C22H18N2O2S — CID 51360480

IUPAC4-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)c1
InChIInChI=1S/C22H18N2O2S/c1-25-20-9-5-6-16(14-20)21-15-27-22(24-21)23-17-10-12-19(13-11-17)26-18-7-3-2-4-8-18/h2-15H,1H3,(H,23,24)
InChIKeyKAOBLCHOHKAJSL-UHFFFAOYSA-N
MW374.47 g/mol
LogP6.35
Rot. Bonds6

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

4-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 51360480) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
PubChem CID51360480
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name4-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)c1
InChIInChI=1S/C22H18N2O2S/c1-25-20-9-5-6-16(14-20)21-15-27-22(24-21)23-17-10-12-19(13-11-17)26-18-7-3-2-4-8-18/h2-15H,1H3,(H,23,24)
InChIKeyKAOBLCHOHKAJSL-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-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine (CID 51360480) is 4-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine is COc1cccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is KAOBLCHOHKAJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-25-20-9-5-6-16(14-20)21-15-27-22(24-21)23-17-10-12-19(13-11-17)26-18-7-3-2-4-8-18/h2-15H,1H3,(H,23,24).
What are the key properties of 4-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
4-(3-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-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 51360480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).