(2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide

C20H23F3N4O2S — CID 158451190

IUPAC(2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide
SMILES[2H]C([2H])([2H])c1nc(CC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1
InChIInChI=1S/C20H23F3N4O2S/c1-11-17(12-6-7-25-14(9-12)19(2,3)20(21,22)23)30-15(26-11)10-16(28)27-8-4-5-13(27)18(24)29/h6-7,9,13H,4-5,8,10H2,1-3H3,(H2,24,29)/t13-/m0/s1/i1D3
InChIKeyHDZUELVGEATEFH-FUPFOCIHSA-N
MW443.51 g/mol
LogP3.37
Rot. Bonds6

About (2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide

(2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide (PubChem CID 158451190) has the molecular formula C20H23F3N4O2S and a molecular weight of 443.51 g/mol. Its IUPAC name is (2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide
PubChem CID158451190
Molecular FormulaC20H23F3N4O2S
Molecular Weight443.51 g/mol
Exact Mass443.17
IUPAC Name(2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide
SMILES[2H]C([2H])([2H])c1nc(CC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1
InChIInChI=1S/C20H23F3N4O2S/c1-11-17(12-6-7-25-14(9-12)19(2,3)20(21,22)23)30-15(26-11)10-16(28)27-8-4-5-13(27)18(24)29/h6-7,9,13H,4-5,8,10H2,1-3H3,(H2,24,29)/t13-/m0/s1/i1D3
InChIKeyHDZUELVGEATEFH-FUPFOCIHSA-N
XLogP3.37
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide 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 (2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide (CID 158451190) is (2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide is [2H]C([2H])([2H])c1nc(CC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1.
What is the InChIKey of (2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is HDZUELVGEATEFH-FUPFOCIHSA-N. The full InChI is InChI=1S/C20H23F3N4O2S/c1-11-17(12-6-7-25-14(9-12)19(2,3)20(21,22)23)30-15(26-11)10-16(28)27-8-4-5-13(27)18(24)29/h6-7,9,13H,4-5,8,10H2,1-3H3,(H2,24,29)/t13-/m0/s1/i1D3.
What are the key properties of (2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide?
(2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 158451190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).