N-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide

C20H20FN5O2S — CID 128966623

IUPACN-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H20FN5O2S/c1-12-19(29-11-23-12)20(28)22-8-13-7-17(27)25(2)18(13)14-9-24-26(10-14)16-5-3-15(21)4-6-16/h3-6,9-11,13,18H,7-8H2,1-2H3,(H,22,28)/t13-,18+/m0/s1
InChIKeyLSUYACAWFNOJND-SCLBCKFNSA-N
MW413.48 g/mol
LogP2.73
Rot. Bonds5

About N-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 128966623) has the molecular formula C20H20FN5O2S and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID128966623
Molecular FormulaC20H20FN5O2S
Molecular Weight413.48 g/mol
Exact Mass413.13
IUPAC NameN-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H20FN5O2S/c1-12-19(29-11-23-12)20(28)22-8-13-7-17(27)25(2)18(13)14-9-24-26(10-14)16-5-3-15(21)4-6-16/h3-6,9-11,13,18H,7-8H2,1-2H3,(H,22,28)/t13-,18+/m0/s1
InChIKeyLSUYACAWFNOJND-SCLBCKFNSA-N
XLogP2.73
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 128966623) is N-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of N-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is LSUYACAWFNOJND-SCLBCKFNSA-N. The full InChI is InChI=1S/C20H20FN5O2S/c1-12-19(29-11-23-12)20(28)22-8-13-7-17(27)25(2)18(13)14-9-24-26(10-14)16-5-3-15(21)4-6-16/h3-6,9-11,13,18H,7-8H2,1-2H3,(H,22,28)/t13-,18+/m0/s1.
What are the key properties of N-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 128966623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).