5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

C20H20F3N5O2S2 — CID 125002477

IUPAC5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H20F3N5O2S2/c1-12-11-24-19(31-12)27-18-10-16(25-13(2)26-18)17-7-4-8-28(17)32(29,30)15-6-3-5-14(9-15)20(21,22)23/h3,5-6,9-11,17H,4,7-8H2,1-2H3,(H,24,25,26,27)/t17-/m0/s1
InChIKeySKRDJLHDMATMTI-KRWDZBQOSA-N
MW483.54 g/mol
LogP4.84
Rot. Bonds5

About 5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 125002477) has the molecular formula C20H20F3N5O2S2 and a molecular weight of 483.54 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID125002477
Molecular FormulaC20H20F3N5O2S2
Molecular Weight483.54 g/mol
Exact Mass483.10
IUPAC Name5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H20F3N5O2S2/c1-12-11-24-19(31-12)27-18-10-16(25-13(2)26-18)17-7-4-8-28(17)32(29,30)15-6-3-5-14(9-15)20(21,22)23/h3,5-6,9-11,17H,4,7-8H2,1-2H3,(H,24,25,26,27)/t17-/m0/s1
InChIKeySKRDJLHDMATMTI-KRWDZBQOSA-N
XLogP4.84
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-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-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 125002477) is 5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is SKRDJLHDMATMTI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20F3N5O2S2/c1-12-11-24-19(31-12)27-18-10-16(25-13(2)26-18)17-7-4-8-28(17)32(29,30)15-6-3-5-14(9-15)20(21,22)23/h3,5-6,9-11,17H,4,7-8H2,1-2H3,(H,24,25,26,27)/t17-/m0/s1.
What are the key properties of 5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 483.54 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 125002477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).