4-[1-(4-methoxyphenyl)-2-phenylethyl]-1,3-thiazol-2-amine

C18H18N2OS — CID 11702315

IUPAC4-[1-(4-methoxyphenyl)-2-phenylethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(C(Cc2ccccc2)c2csc(N)n2)cc1
InChIInChI=1S/C18H18N2OS/c1-21-15-9-7-14(8-10-15)16(17-12-22-18(19)20-17)11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H2,19,20)
InChIKeyGJBZQLOSCWVBDU-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.11
Rot. Bonds5

About 4-[1-(4-methoxyphenyl)-2-phenylethyl]-1,3-thiazol-2-amine

4-[1-(4-methoxyphenyl)-2-phenylethyl]-1,3-thiazol-2-amine (PubChem CID 11702315) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)-2-phenylethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)-2-phenylethyl]-1,3-thiazol-2-amine
PubChem CID11702315
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name4-[1-(4-methoxyphenyl)-2-phenylethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(C(Cc2ccccc2)c2csc(N)n2)cc1
InChIInChI=1S/C18H18N2OS/c1-21-15-9-7-14(8-10-15)16(17-12-22-18(19)20-17)11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H2,19,20)
InChIKeyGJBZQLOSCWVBDU-UHFFFAOYSA-N
XLogP4.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)-2-phenylethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(4-methoxyphenyl)-2-phenylethyl]-1,3-thiazol-2-amine (CID 11702315) is 4-[1-(4-methoxyphenyl)-2-phenylethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)-2-phenylethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(4-methoxyphenyl)-2-phenylethyl]-1,3-thiazol-2-amine is COc1ccc(C(Cc2ccccc2)c2csc(N)n2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)-2-phenylethyl]-1,3-thiazol-2-amine?
The InChIKey is GJBZQLOSCWVBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-21-15-9-7-14(8-10-15)16(17-12-22-18(19)20-17)11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H2,19,20).
What are the key properties of 4-[1-(4-methoxyphenyl)-2-phenylethyl]-1,3-thiazol-2-amine?
4-[1-(4-methoxyphenyl)-2-phenylethyl]-1,3-thiazol-2-amine has a molecular weight of 310.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)-2-phenylethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 11702315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).