1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

C18H19F4N5O2S — CID 146697209

IUPAC1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
SMILESCc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(F)C(F)(F)F)c1
InChIInChI=1S/C18H19F4N5O2S/c1-9-13(10-5-6-24-12(8-10)17(2,19)18(20,21)22)30-15(25-9)26-16(29)27-7-3-4-11(27)14(23)28/h5-6,8,11H,3-4,7H2,1-2H3,(H2,23,28)(H,25,26,29)
InChIKeyQPWWATRJQJVNII-UHFFFAOYSA-N
MW445.44 g/mol
LogP3.74
Rot. Bonds4

About 1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide (PubChem CID 146697209) has the molecular formula C18H19F4N5O2S and a molecular weight of 445.44 g/mol. Its IUPAC name is 1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
PubChem CID146697209
Molecular FormulaC18H19F4N5O2S
Molecular Weight445.44 g/mol
Exact Mass445.12
IUPAC Name1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
SMILESCc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(F)C(F)(F)F)c1
InChIInChI=1S/C18H19F4N5O2S/c1-9-13(10-5-6-24-12(8-10)17(2,19)18(20,21)22)30-15(25-9)26-16(29)27-7-3-4-11(27)14(23)28/h5-6,8,11H,3-4,7H2,1-2H3,(H2,23,28)(H,25,26,29)
InChIKeyQPWWATRJQJVNII-UHFFFAOYSA-N
XLogP3.74
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-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

2-carbamothioyl-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 171535071
(2S)-1-N-[5-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]propan-2-yl]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 59293680
2-formyl-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 163812256
(2S)-1-N-[5-[2-(3-fluoro-2,3-diiodopent-4-en-2-yl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-N-iodopyrrolidine-1,2-dicarboxamide
CID 163660480
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
tert-butyl 3-[(2S)-1-[[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-2-yl]-3-(18O)oxopropanoate
CID 163662099
1-N-[4-methyl-5-[(4S)-1-oxo-4-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-6-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 175483185
(2S)-1-N-[5-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 134149428
(2S,4R)-2-carbamothioyl-4-fluoro-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 176912097
(2S)-1-N-[5-[2-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 59293648
(2S)-1-N-[4-methyl-5-[3-methyl-1-oxo-3-(trifluoromethyl)-2H-isoindol-5-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 167432467
(2S)-1-N-[5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 59293740

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide (CID 146697209) is 1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide is Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccnc(C(C)(F)C(F)(F)F)c1.
What is the InChIKey of 1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is QPWWATRJQJVNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N5O2S/c1-9-13(10-5-6-24-12(8-10)17(2,19)18(20,21)22)30-15(25-9)26-16(29)27-7-3-4-11(27)14(23)28/h5-6,8,11H,3-4,7H2,1-2H3,(H2,23,28)(H,25,26,29).
What are the key properties of 1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 445.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 146697209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).