(2S)-2-(2-fluorophenoxy)-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide

C18H19FN4O4S — CID 9373563

IUPAC(2S)-2-(2-fluorophenoxy)-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C18H19FN4O4S/c1-11(27-14-6-3-2-5-13(14)19)17(26)22-21-15(24)9-12-10-28-18(20-12)23-8-4-7-16(23)25/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,21,24)(H,22,26)/t11-/m0/s1
InChIKeyGMBGJTMPXYPJEU-NSHDSACASA-N
MW406.44 g/mol
LogP1.57
Rot. Bonds6

About (2S)-2-(2-fluorophenoxy)-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide

(2S)-2-(2-fluorophenoxy)-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide (PubChem CID 9373563) has the molecular formula C18H19FN4O4S and a molecular weight of 406.44 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide
PubChem CID9373563
Molecular FormulaC18H19FN4O4S
Molecular Weight406.44 g/mol
Exact Mass406.11
IUPAC Name(2S)-2-(2-fluorophenoxy)-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide
SMILESC[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C18H19FN4O4S/c1-11(27-14-6-3-2-5-13(14)19)17(26)22-21-15(24)9-12-10-28-18(20-12)23-8-4-7-16(23)25/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,21,24)(H,22,26)/t11-/m0/s1
InChIKeyGMBGJTMPXYPJEU-NSHDSACASA-N
XLogP1.57
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 27824972
5-chloro-2-methoxy-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
CID 9278566
4-ethoxy-3-methoxy-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
CID 9151613
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667889
methyl 2-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 18200073
1-[(4-fluorophenyl)methyl]-3-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]thiourea
CID 8943014
N-[(4-fluorophenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9270484
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 9322230
N-[(2S)-1-methoxypropan-2-yl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 29354926
N-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119439649
N-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75416990
N-[2-(methylamino)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 120831687

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenoxy)-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide?
The IUPAC name of (2S)-2-(2-fluorophenoxy)-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide (CID 9373563) is (2S)-2-(2-fluorophenoxy)-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide is C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1csc(N2CCCC2=O)n1.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide?
The InChIKey is GMBGJTMPXYPJEU-NSHDSACASA-N. The full InChI is InChI=1S/C18H19FN4O4S/c1-11(27-14-6-3-2-5-13(14)19)17(26)22-21-15(24)9-12-10-28-18(20-12)23-8-4-7-16(23)25/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,21,24)(H,22,26)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide?
(2S)-2-(2-fluorophenoxy)-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide has a molecular weight of 406.44 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenoxy)-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide is sourced from PubChem (CID 9373563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).