N-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propan-2-yl]-2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide

C25H20FN5O3S — CID 58226869

IUPACN-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propan-2-yl]-2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCn1nccc1-c1ncc(C(=O)N[C@@H](Cc2cccc(F)c2)CN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C25H20FN5O3S/c1-30-20(9-10-28-30)23-27-13-21(35-23)22(32)29-17(12-15-5-4-6-16(26)11-15)14-31-24(33)18-7-2-3-8-19(18)25(31)34/h2-11,13,17H,12,14H2,1H3,(H,29,32)/t17-/m0/s1
InChIKeyUCSVYYZBEIDUBQ-KRWDZBQOSA-N
MW489.53 g/mol
LogP3.32
Rot. Bonds7

About N-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propan-2-yl]-2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide

N-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propan-2-yl]-2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 58226869) has the molecular formula C25H20FN5O3S and a molecular weight of 489.53 g/mol. Its IUPAC name is N-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propan-2-yl]-2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propan-2-yl]-2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID58226869
Molecular FormulaC25H20FN5O3S
Molecular Weight489.53 g/mol
Exact Mass489.13
IUPAC NameN-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propan-2-yl]-2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCn1nccc1-c1ncc(C(=O)N[C@@H](Cc2cccc(F)c2)CN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C25H20FN5O3S/c1-30-20(9-10-28-30)23-27-13-21(35-23)22(32)29-17(12-15-5-4-6-16(26)11-15)14-31-24(33)18-7-2-3-8-19(18)25(31)34/h2-11,13,17H,12,14H2,1H3,(H,29,32)/t17-/m0/s1
InChIKeyUCSVYYZBEIDUBQ-KRWDZBQOSA-N
XLogP3.32
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propan-2-yl]-2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-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 N-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propan-2-yl]-2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propan-2-yl]-2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide (CID 58226869) is N-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propan-2-yl]-2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propan-2-yl]-2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propan-2-yl]-2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide is Cn1nccc1-c1ncc(C(=O)N[C@@H](Cc2cccc(F)c2)CN2C(=O)c3ccccc3C2=O)s1.
What is the InChIKey of N-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propan-2-yl]-2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is UCSVYYZBEIDUBQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H20FN5O3S/c1-30-20(9-10-28-30)23-27-13-21(35-23)22(32)29-17(12-15-5-4-6-16(26)11-15)14-31-24(33)18-7-2-3-8-19(18)25(31)34/h2-11,13,17H,12,14H2,1H3,(H,29,32)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propan-2-yl]-2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide?
N-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propan-2-yl]-2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 489.53 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propan-2-yl]-2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58226869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).