N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide

C20H28FN3O3S2 — CID 137459049

IUPACN-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1ccc(F)c(C(C)C)c1CC(=O)N=S(N)(=O)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C20H28FN3O3S2/c1-11(2)13-7-8-15(21)18(12(3)4)14(13)9-16(25)24-29(22,27)17-10-23-19(28-17)20(5,6)26/h7-8,10-12,26H,9H2,1-6H3,(H2,22,24,25,27)
InChIKeyHGFXRHGZKYLJMF-UHFFFAOYSA-N
MW441.59 g/mol
LogP4.23
Rot. Bonds6

About N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide

N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 137459049) has the molecular formula C20H28FN3O3S2 and a molecular weight of 441.59 g/mol. Its IUPAC name is N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID137459049
Molecular FormulaC20H28FN3O3S2
Molecular Weight441.59 g/mol
Exact Mass441.16
IUPAC NameN-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1ccc(F)c(C(C)C)c1CC(=O)N=S(N)(=O)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C20H28FN3O3S2/c1-11(2)13-7-8-15(21)18(12(3)4)14(13)9-16(25)24-29(22,27)17-10-23-19(28-17)20(5,6)26/h7-8,10-12,26H,9H2,1-6H3,(H2,22,24,25,27)
InChIKeyHGFXRHGZKYLJMF-UHFFFAOYSA-N
XLogP4.23
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.59
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide 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 N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide (CID 137459049) is N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1ccc(F)c(C(C)C)c1CC(=O)N=S(N)(=O)c1cnc(C(C)(C)O)s1.
What is the InChIKey of N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is HGFXRHGZKYLJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3S2/c1-11(2)13-7-8-15(21)18(12(3)4)14(13)9-16(25)24-29(22,27)17-10-23-19(28-17)20(5,6)26/h7-8,10-12,26H,9H2,1-6H3,(H2,22,24,25,27).
What are the key properties of N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 441.59 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 137459049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).