(2S)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-2-phenylpentanehydrazide

C22H22FN3O2S — CID 9076071

IUPAC(2S)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-2-phenylpentanehydrazide
SMILESCCC[C@H](C(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1)c1ccccc1
InChIInChI=1S/C22H22FN3O2S/c1-2-6-19(15-7-4-3-5-8-15)21(28)26-25-20(27)13-18-14-29-22(24-18)16-9-11-17(23)12-10-16/h3-5,7-12,14,19H,2,6,13H2,1H3,(H,25,27)(H,26,28)/t19-/m0/s1
InChIKeyUNDCGPOWVMQOGT-IBGZPJMESA-N
MW411.50 g/mol
LogP4.22
Rot. Bonds7

About (2S)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-2-phenylpentanehydrazide

(2S)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-2-phenylpentanehydrazide (PubChem CID 9076071) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is (2S)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-2-phenylpentanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-2-phenylpentanehydrazide
PubChem CID9076071
Molecular FormulaC22H22FN3O2S
Molecular Weight411.50 g/mol
Exact Mass411.14
IUPAC Name(2S)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-2-phenylpentanehydrazide
SMILESCCC[C@H](C(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1)c1ccccc1
InChIInChI=1S/C22H22FN3O2S/c1-2-6-19(15-7-4-3-5-8-15)21(28)26-25-20(27)13-18-14-29-22(24-18)16-9-11-17(23)12-10-16/h3-5,7-12,14,19H,2,6,13H2,1H3,(H,25,27)(H,26,28)/t19-/m0/s1
InChIKeyUNDCGPOWVMQOGT-IBGZPJMESA-N
XLogP4.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide
CID 9076206
1-(4-fluorophenyl)-3-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]thiourea
CID 8560600
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 9490539
benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 18271955
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 4800325
(2R)-2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 124647486
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 55569851
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17468980
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 42895093
dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium
CID 2425714
2-[(1R)-cyclopent-2-en-1-yl]-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]acetohydrazide
CID 9076369

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-2-phenylpentanehydrazide?
The IUPAC name of (2S)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-2-phenylpentanehydrazide (CID 9076071) is (2S)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-2-phenylpentanehydrazide.
What is the SMILES notation for (2S)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-2-phenylpentanehydrazide?
The canonical SMILES for (2S)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-2-phenylpentanehydrazide is CCC[C@H](C(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1)c1ccccc1.
What is the InChIKey of (2S)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-2-phenylpentanehydrazide?
The InChIKey is UNDCGPOWVMQOGT-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22FN3O2S/c1-2-6-19(15-7-4-3-5-8-15)21(28)26-25-20(27)13-18-14-29-22(24-18)16-9-11-17(23)12-10-16/h3-5,7-12,14,19H,2,6,13H2,1H3,(H,25,27)(H,26,28)/t19-/m0/s1.
What are the key properties of (2S)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-2-phenylpentanehydrazide?
(2S)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-2-phenylpentanehydrazide has a molecular weight of 411.50 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-2-phenylpentanehydrazide is sourced from PubChem (CID 9076071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).