2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine

C18H18N2OS — CID 93216518

IUPAC2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1ccccc1-c1nc(-c2ccccc2)sc1CCN
InChIInChI=1S/C18H18N2OS/c1-21-15-10-6-5-9-14(15)17-16(11-12-19)22-18(20-17)13-7-3-2-4-8-13/h2-10H,11-12,19H2,1H3
InChIKeyAPLQMIQDKXOFFE-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.99
Rot. Bonds5

About 2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine

2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 93216518) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine
PubChem CID93216518
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1ccccc1-c1nc(-c2ccccc2)sc1CCN
InChIInChI=1S/C18H18N2OS/c1-21-15-10-6-5-9-14(15)17-16(11-12-19)22-18(20-17)13-7-3-2-4-8-13/h2-10H,11-12,19H2,1H3
InChIKeyAPLQMIQDKXOFFE-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine (CID 93216518) is 2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine is COc1ccccc1-c1nc(-c2ccccc2)sc1CCN.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is APLQMIQDKXOFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-21-15-10-6-5-9-14(15)17-16(11-12-19)22-18(20-17)13-7-3-2-4-8-13/h2-10H,11-12,19H2,1H3.
What are the key properties of 2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine?
2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 310.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 93216518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).