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

C18H18N2O3S — CID 71478212

IUPACN-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccc(OC)cc3OC)n2)cc1
InChIInChI=1S/C18H18N2O3S/c1-21-13-6-4-12(5-7-13)16-11-24-18(20-16)19-15-9-8-14(22-2)10-17(15)23-3/h4-11H,1-3H3,(H,19,20)
InChIKeyXLSINZVEUBWURX-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.58
Rot. Bonds6

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

N-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 71478212) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID71478212
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccc(OC)cc3OC)n2)cc1
InChIInChI=1S/C18H18N2O3S/c1-21-13-6-4-12(5-7-13)16-11-24-18(20-16)19-15-9-8-14(22-2)10-17(15)23-3/h4-11H,1-3H3,(H,19,20)
InChIKeyXLSINZVEUBWURX-UHFFFAOYSA-N
XLogP4.58
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 71478212) is N-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3ccc(OC)cc3OC)n2)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is XLSINZVEUBWURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-21-13-6-4-12(5-7-13)16-11-24-18(20-16)19-15-9-8-14(22-2)10-17(15)23-3/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
N-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 342.42 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 71478212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).