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

C12H12F2N2OS — CID 64988332

IUPAC4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCC(Nc1ccc(OC(F)F)cc1)c1nccs1
InChIInChI=1S/C12H12F2N2OS/c1-8(11-15-6-7-18-11)16-9-2-4-10(5-3-9)17-12(13)14/h2-8,12,16H,1H3
InChIKeyPENIHDUOCDSCIS-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.92
Rot. Bonds5

About 4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 64988332) has the molecular formula C12H12F2N2OS and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID64988332
Molecular FormulaC12H12F2N2OS
Molecular Weight270.30 g/mol
Exact Mass270.06
IUPAC Name4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCC(Nc1ccc(OC(F)F)cc1)c1nccs1
InChIInChI=1S/C12H12F2N2OS/c1-8(11-15-6-7-18-11)16-9-2-4-10(5-3-9)17-12(13)14/h2-8,12,16H,1H3
InChIKeyPENIHDUOCDSCIS-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-(difluoromethoxy)-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-chloro-4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988284
4-cyclopentyloxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993074
2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988333
4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993028
N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64988274
4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993113
2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 64993384
3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64990616
4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993196
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 97357874
5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 115490965

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (CID 64988332) is 4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is CC(Nc1ccc(OC(F)F)cc1)c1nccs1.
What is the InChIKey of 4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is PENIHDUOCDSCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2OS/c1-8(11-15-6-7-18-11)16-9-2-4-10(5-3-9)17-12(13)14/h2-8,12,16H,1H3.
What are the key properties of 4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 270.30 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 64988332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).