5-ethyl-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine

C18H18N2OS — CID 70691989

IUPAC5-ethyl-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESCCc1sc(Nc2ccc(Oc3ccccc3)cc2)nc1C
InChIInChI=1S/C18H18N2OS/c1-3-17-13(2)19-18(22-17)20-14-9-11-16(12-10-14)21-15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyZEFVHFCICSVMAK-UHFFFAOYSA-N
MW310.42 g/mol
LogP5.55
Rot. Bonds5

About 5-ethyl-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine

5-ethyl-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 70691989) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
PubChem CID70691989
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name5-ethyl-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESCCc1sc(Nc2ccc(Oc3ccccc3)cc2)nc1C
InChIInChI=1S/C18H18N2OS/c1-3-17-13(2)19-18(22-17)20-14-9-11-16(12-10-14)21-15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyZEFVHFCICSVMAK-UHFFFAOYSA-N
XLogP5.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine (CID 70691989) is 5-ethyl-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine is CCc1sc(Nc2ccc(Oc3ccccc3)cc2)nc1C.
What is the InChIKey of 5-ethyl-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is ZEFVHFCICSVMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-3-17-13(2)19-18(22-17)20-14-9-11-16(12-10-14)21-15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,19,20).
What are the key properties of 5-ethyl-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
5-ethyl-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 310.42 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 70691989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).