(2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

C17H19FN4O4S2 — CID 11418892

IUPAC(2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
SMILESCc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C17H19FN4O4S2/c1-9-14(10-5-6-13(11(18)8-10)28(2,25)26)27-16(20-9)21-17(24)22-7-3-4-12(22)15(19)23/h5-6,8,12H,3-4,7H2,1-2H3,(H2,19,23)(H,20,21,24)/t12-/m0/s1
InChIKeyQYQCPRXWGNJKFL-LBPRGKRZSA-N
MW426.50 g/mol
LogP2.14
Rot. Bonds4

About (2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

(2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide (PubChem CID 11418892) has the molecular formula C17H19FN4O4S2 and a molecular weight of 426.50 g/mol. Its IUPAC name is (2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
PubChem CID11418892
Molecular FormulaC17H19FN4O4S2
Molecular Weight426.50 g/mol
Exact Mass426.08
IUPAC Name(2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
SMILESCc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C17H19FN4O4S2/c1-9-14(10-5-6-13(11(18)8-10)28(2,25)26)27-16(20-9)21-17(24)22-7-3-4-12(22)15(19)23/h5-6,8,12H,3-4,7H2,1-2H3,(H2,19,23)(H,20,21,24)/t12-/m0/s1
InChIKeyQYQCPRXWGNJKFL-LBPRGKRZSA-N
XLogP2.14
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

Tert-butyl 3-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]propanoate
CID 11419728
(2S)-1-N-[5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 44129274
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 44435492
N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 57351276
US10689339, Example 49
CID 130366514
(2S)-N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-1-[(2R)-2-(benzylsulfonylamino)-3-cyclohexylpropanoyl]pyrrolidine-2-carboxamide
CID 4369323
2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide
CID 2430915
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[1-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]pentanamide
CID 44435476
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)pentanamide
CID 44435493
(2S)-1-N-[4-methyl-5-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 70682592
(2S)-1-N-[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 70695189
1-N-[5-[4-methylsulfonyl-3-(2-propyl-3H-pyrrol-3-yl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 91801266

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide (CID 11418892) is (2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide is Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(S(C)(=O)=O)c(F)c1.
What is the InChIKey of (2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is QYQCPRXWGNJKFL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FN4O4S2/c1-9-14(10-5-6-13(11(18)8-10)28(2,25)26)27-16(20-9)21-17(24)22-7-3-4-12(22)15(19)23/h5-6,8,12H,3-4,7H2,1-2H3,(H2,19,23)(H,20,21,24)/t12-/m0/s1.
What are the key properties of (2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 426.50 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 11418892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).