5-[6-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine

C17H16ClFN4O2S2 — CID 58688468

IUPAC5-[6-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2cc(-c3ccc(F)cc3Cl)nc(S(C)(=O)=O)n2)s1
InChIInChI=1S/C17H16ClFN4O2S2/c1-9(2)21-16-20-8-15(26-16)14-7-13(22-17(23-14)27(3,24)25)11-5-4-10(19)6-12(11)18/h4-9H,1-3H3,(H,20,21)
InChIKeyKNUKKDHDWSZVKG-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.28
Rot. Bonds5

About 5-[6-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine

5-[6-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 58688468) has the molecular formula C17H16ClFN4O2S2 and a molecular weight of 426.93 g/mol. Its IUPAC name is 5-[6-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[6-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID58688468
Molecular FormulaC17H16ClFN4O2S2
Molecular Weight426.93 g/mol
Exact Mass426.04
IUPAC Name5-[6-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2cc(-c3ccc(F)cc3Cl)nc(S(C)(=O)=O)n2)s1
InChIInChI=1S/C17H16ClFN4O2S2/c1-9(2)21-16-20-8-15(26-16)14-7-13(22-17(23-14)27(3,24)25)11-5-4-10(19)6-12(11)18/h4-9H,1-3H3,(H,20,21)
InChIKeyKNUKKDHDWSZVKG-UHFFFAOYSA-N
XLogP4.28
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[6-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine 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 5-[6-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[6-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 58688468) is 5-[6-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[6-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[6-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1ncc(-c2cc(-c3ccc(F)cc3Cl)nc(S(C)(=O)=O)n2)s1.
What is the InChIKey of 5-[6-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is KNUKKDHDWSZVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O2S2/c1-9(2)21-16-20-8-15(26-16)14-7-13(22-17(23-14)27(3,24)25)11-5-4-10(19)6-12(11)18/h4-9H,1-3H3,(H,20,21).
What are the key properties of 5-[6-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
5-[6-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 426.93 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58688468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).