3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

C17H16N2OS — CID 64990616

IUPAC3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCC(Nc1cccc(Oc2ccccc2)c1)c1nccs1
InChIInChI=1S/C17H16N2OS/c1-13(17-18-10-11-21-17)19-14-6-5-9-16(12-14)20-15-7-3-2-4-8-15/h2-13,19H,1H3
InChIKeyVBIWMOYFQVBSEH-UHFFFAOYSA-N
MW296.40 g/mol
LogP5.11
Rot. Bonds5

About 3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 64990616) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID64990616
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCC(Nc1cccc(Oc2ccccc2)c1)c1nccs1
InChIInChI=1S/C17H16N2OS/c1-13(17-18-10-11-21-17)19-14-6-5-9-16(12-14)20-15-7-3-2-4-8-15/h2-13,19H,1H3
InChIKeyVBIWMOYFQVBSEH-UHFFFAOYSA-N
XLogP5.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.40
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993160
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 64988572
4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993028
methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993607
2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 97357874
2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 64993384
3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993449
4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988332
2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide
CID 113373008
pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone
CID 75498371
5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 115490965
tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate
CID 103936431

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (CID 64990616) is 3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is CC(Nc1cccc(Oc2ccccc2)c1)c1nccs1.
What is the InChIKey of 3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is VBIWMOYFQVBSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-13(17-18-10-11-21-17)19-14-6-5-9-16(12-14)20-15-7-3-2-4-8-15/h2-13,19H,1H3.
What are the key properties of 3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 296.40 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 64990616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).