[4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone

C20H21FN4O2S — CID 10250389

IUPAC[4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
SMILESCN(C)CCOc1ccc(Nc2nc(N)c(C(=O)c3cccc(F)c3)s2)cc1
InChIInChI=1S/C20H21FN4O2S/c1-25(2)10-11-27-16-8-6-15(7-9-16)23-20-24-19(22)18(28-20)17(26)13-4-3-5-14(21)12-13/h3-9,12H,10-11,22H2,1-2H3,(H,23,24)
InChIKeyKCLVVBCHPZJWBZ-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.78
Rot. Bonds8

About [4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone

[4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone (PubChem CID 10250389) has the molecular formula C20H21FN4O2S and a molecular weight of 400.48 g/mol. Its IUPAC name is [4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
PubChem CID10250389
Molecular FormulaC20H21FN4O2S
Molecular Weight400.48 g/mol
Exact Mass400.14
IUPAC Name[4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
SMILESCN(C)CCOc1ccc(Nc2nc(N)c(C(=O)c3cccc(F)c3)s2)cc1
InChIInChI=1S/C20H21FN4O2S/c1-25(2)10-11-27-16-8-6-15(7-9-16)23-20-24-19(22)18(28-20)17(26)13-4-3-5-14(21)12-13/h3-9,12H,10-11,22H2,1-2H3,(H,23,24)
InChIKeyKCLVVBCHPZJWBZ-UHFFFAOYSA-N
XLogP3.78
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone (CID 10250389) is [4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone is CN(C)CCOc1ccc(Nc2nc(N)c(C(=O)c3cccc(F)c3)s2)cc1.
What is the InChIKey of [4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
The InChIKey is KCLVVBCHPZJWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2S/c1-25(2)10-11-27-16-8-6-15(7-9-16)23-20-24-19(22)18(28-20)17(26)13-4-3-5-14(21)12-13/h3-9,12H,10-11,22H2,1-2H3,(H,23,24).
What are the key properties of [4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
[4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone has a molecular weight of 400.48 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 10250389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).