N'-[1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

C22H21FN4O4S2 — CID 24643983

IUPACN'-[1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C22H21FN4O4S2/c1-14-19(32-22(24-14)15-8-3-2-4-9-15)21(29)26-25-20(28)17-11-7-13-27(17)33(30,31)18-12-6-5-10-16(18)23/h2-6,8-10,12,17H,7,11,13H2,1H3,(H,25,28)(H,26,29)
InChIKeyOMJHKVIFGUPEIU-UHFFFAOYSA-N
MW488.57 g/mol
LogP2.87
Rot. Bonds5

About N'-[1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

N'-[1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (PubChem CID 24643983) has the molecular formula C22H21FN4O4S2 and a molecular weight of 488.57 g/mol. Its IUPAC name is N'-[1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
PubChem CID24643983
Molecular FormulaC22H21FN4O4S2
Molecular Weight488.57 g/mol
Exact Mass488.10
IUPAC NameN'-[1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C22H21FN4O4S2/c1-14-19(32-22(24-14)15-8-3-2-4-9-15)21(29)26-25-20(28)17-11-7-13-27(17)33(30,31)18-12-6-5-10-16(18)23/h2-6,8-10,12,17H,7,11,13H2,1H3,(H,25,28)(H,26,29)
InChIKeyOMJHKVIFGUPEIU-UHFFFAOYSA-N
XLogP2.87
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 52.87
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'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide
CID 24643981
N'-(2-fluorobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970391
(2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 2119678
1-(2-fluorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 24644596
1-(2-fluorophenyl)sulfonyl-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 24641779
1-(2-fluorophenyl)sulfonyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 24644538
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
N'-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9418597
N'-[3-(2-fluorophenyl)propanoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 40724602
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 26814306
4-methyl-2-phenyl-N'-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]-1,3-thiazole-5-carbohydrazide
CID 25440191
4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 41273695

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (CID 24643983) is N'-[1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C1CCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of N'-[1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is OMJHKVIFGUPEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O4S2/c1-14-19(32-22(24-14)15-8-3-2-4-9-15)21(29)26-25-20(28)17-11-7-13-27(17)33(30,31)18-12-6-5-10-16(18)23/h2-6,8-10,12,17H,7,11,13H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N'-[1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
N'-[1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 488.57 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 24643983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).