(2S)-1-N-[5-[(Z)-1-amino-2-[1-[1-(trifluoromethyl)cyclopropyl]ethenylsulfanyl]ethenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide

C19H24F3N5O2S2 — CID 89166168

IUPAC(2S)-1-N-[5-[(Z)-1-amino-2-[1-[1-(trifluoromethyl)cyclopropyl]ethenylsulfanyl]ethenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide
SMILESC=C(S/C=C(\N)c1sc(NC(=O)N2CCC[C@@]2(C)C(N)=O)nc1C)C1(C(F)(F)F)CC1
InChIInChI=1S/C19H24F3N5O2S2/c1-10-13(12(23)9-30-11(2)18(6-7-18)19(20,21)22)31-15(25-10)26-16(29)27-8-4-5-17(27,3)14(24)28/h9H,2,4-8,23H2,1,3H3,(H2,24,28)(H,25,26,29)/b12-9-/t17-/m0/s1
InChIKeyUATRJWFXWHCDBF-GKUQOKNUSA-N
MW475.56 g/mol
LogP4.17
Rot. Bonds6

About (2S)-1-N-[5-[(Z)-1-amino-2-[1-[1-(trifluoromethyl)cyclopropyl]ethenylsulfanyl]ethenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide

(2S)-1-N-[5-[(Z)-1-amino-2-[1-[1-(trifluoromethyl)cyclopropyl]ethenylsulfanyl]ethenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 89166168) has the molecular formula C19H24F3N5O2S2 and a molecular weight of 475.56 g/mol. Its IUPAC name is (2S)-1-N-[5-[(Z)-1-amino-2-[1-[1-(trifluoromethyl)cyclopropyl]ethenylsulfanyl]ethenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-[5-[(Z)-1-amino-2-[1-[1-(trifluoromethyl)cyclopropyl]ethenylsulfanyl]ethenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide
PubChem CID89166168
Molecular FormulaC19H24F3N5O2S2
Molecular Weight475.56 g/mol
Exact Mass475.13
IUPAC Name(2S)-1-N-[5-[(Z)-1-amino-2-[1-[1-(trifluoromethyl)cyclopropyl]ethenylsulfanyl]ethenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide
SMILESC=C(S/C=C(\N)c1sc(NC(=O)N2CCC[C@@]2(C)C(N)=O)nc1C)C1(C(F)(F)F)CC1
InChIInChI=1S/C19H24F3N5O2S2/c1-10-13(12(23)9-30-11(2)18(6-7-18)19(20,21)22)31-15(25-10)26-16(29)27-8-4-5-17(27,3)14(24)28/h9H,2,4-8,23H2,1,3H3,(H2,24,28)(H,25,26,29)/b12-9-/t17-/m0/s1
InChIKeyUATRJWFXWHCDBF-GKUQOKNUSA-N
XLogP4.17
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-1-N-[5-[(Z)-1-amino-2-[1-[1-(trifluoromethyl)cyclopropyl]ethenylsulfanyl]ethenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-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

(1S,5R)-2-N-[5-[(Z)-1-amino-2-(1-cyclobutylethenylsulfanyl)ethenyl]-4-methyl-1,3-thiazol-2-yl]-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide
CID 89170014
2-methyl-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 74836055
(2S)-1-N-[5-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide
CID 42645082
(2S)-1-N-[5-[2-[[(Z)-2-aminoethenyl]-ethenylamino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide
CID 89170250
(2S)-1-N-[5-[2-[(4-methoxyphenoxy)methyl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide
CID 42647217
(2S)-2-methyl-1-N-[4-methyl-5-[2-[methyl(propyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 42644364
(2S)-1-N-[5-[(Z)-1-amino-3-[1-(1-phenylcyclopentyl)ethenylimino]prop-1-enyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 136596688
1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978315
(2S)-2-benzyl-1-N-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 42644600
3,3-dimethyl-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 75306311
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709341
1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124108

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[5-[(Z)-1-amino-2-[1-[1-(trifluoromethyl)cyclopropyl]ethenylsulfanyl]ethenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-[5-[(Z)-1-amino-2-[1-[1-(trifluoromethyl)cyclopropyl]ethenylsulfanyl]ethenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide (CID 89166168) is (2S)-1-N-[5-[(Z)-1-amino-2-[1-[1-(trifluoromethyl)cyclopropyl]ethenylsulfanyl]ethenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-[5-[(Z)-1-amino-2-[1-[1-(trifluoromethyl)cyclopropyl]ethenylsulfanyl]ethenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-[5-[(Z)-1-amino-2-[1-[1-(trifluoromethyl)cyclopropyl]ethenylsulfanyl]ethenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide is C=C(S/C=C(\N)c1sc(NC(=O)N2CCC[C@@]2(C)C(N)=O)nc1C)C1(C(F)(F)F)CC1.
What is the InChIKey of (2S)-1-N-[5-[(Z)-1-amino-2-[1-[1-(trifluoromethyl)cyclopropyl]ethenylsulfanyl]ethenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is UATRJWFXWHCDBF-GKUQOKNUSA-N. The full InChI is InChI=1S/C19H24F3N5O2S2/c1-10-13(12(23)9-30-11(2)18(6-7-18)19(20,21)22)31-15(25-10)26-16(29)27-8-4-5-17(27,3)14(24)28/h9H,2,4-8,23H2,1,3H3,(H2,24,28)(H,25,26,29)/b12-9-/t17-/m0/s1.
What are the key properties of (2S)-1-N-[5-[(Z)-1-amino-2-[1-[1-(trifluoromethyl)cyclopropyl]ethenylsulfanyl]ethenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide?
(2S)-1-N-[5-[(Z)-1-amino-2-[1-[1-(trifluoromethyl)cyclopropyl]ethenylsulfanyl]ethenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 475.56 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[5-[(Z)-1-amino-2-[1-[1-(trifluoromethyl)cyclopropyl]ethenylsulfanyl]ethenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 89166168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).