N-(4-ethoxyphenyl)-4-phenyl-1,3-thiazol-2-amine

C17H16N2OS — CID 872493

IUPACN-(4-ethoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
SMILESCCOc1ccc(Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C17H16N2OS/c1-2-20-15-10-8-14(9-11-15)18-17-19-16(12-21-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,18,19)
InChIKeyWADIHVZBGMGTTC-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.95
Rot. Bonds5

About N-(4-ethoxyphenyl)-4-phenyl-1,3-thiazol-2-amine

N-(4-ethoxyphenyl)-4-phenyl-1,3-thiazol-2-amine (PubChem CID 872493) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
PubChem CID872493
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-(4-ethoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
SMILESCCOc1ccc(Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C17H16N2OS/c1-2-20-15-10-8-14(9-11-15)18-17-19-16(12-21-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,18,19)
InChIKeyWADIHVZBGMGTTC-UHFFFAOYSA-N
XLogP4.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(4-ethoxyphenyl)-4-phenyl-1,3-thiazol-2-amine (CID 872493) is N-(4-ethoxyphenyl)-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-4-phenyl-1,3-thiazol-2-amine is CCOc1ccc(Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is WADIHVZBGMGTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-2-20-15-10-8-14(9-11-15)18-17-19-16(12-21-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,18,19).
What are the key properties of N-(4-ethoxyphenyl)-4-phenyl-1,3-thiazol-2-amine?
N-(4-ethoxyphenyl)-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 296.40 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 872493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).