4,5-bis(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine

C18H18N2O2S — CID 2438769

IUPAC4,5-bis(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C18H18N2O2S/c1-19-18-20-16(12-4-8-14(21-2)9-5-12)17(23-18)13-6-10-15(22-3)11-7-13/h4-11H,1-3H3,(H,19,20)
InChIKeyLDUZUUCPFHFOCK-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.54
Rot. Bonds5

About 4,5-bis(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine

4,5-bis(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 2438769) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID2438769
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name4,5-bis(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C18H18N2O2S/c1-19-18-20-16(12-4-8-14(21-2)9-5-12)17(23-18)13-6-10-15(22-3)11-7-13/h4-11H,1-3H3,(H,19,20)
InChIKeyLDUZUUCPFHFOCK-UHFFFAOYSA-N
XLogP4.54
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (CID 2438769) is 4,5-bis(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is LDUZUUCPFHFOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-19-18-20-16(12-4-8-14(21-2)9-5-12)17(23-18)13-6-10-15(22-3)11-7-13/h4-11H,1-3H3,(H,19,20).
What are the key properties of 4,5-bis(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
4,5-bis(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 326.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2438769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).