2-(4-fluorophenyl)-4-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide

C20H14FN5O3S — CID 24514494

IUPAC2-(4-fluorophenyl)-4-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H14FN5O3S/c1-10-16(30-20(22-10)11-6-8-12(21)9-7-11)19(29)26-25-18(28)15-13-4-2-3-5-14(13)17(27)24-23-15/h2-9H,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyQTLHGHBXXQHVSS-UHFFFAOYSA-N
MW423.43 g/mol
LogP2.57
Rot. Bonds3

About 2-(4-fluorophenyl)-4-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide

2-(4-fluorophenyl)-4-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide (PubChem CID 24514494) has the molecular formula C20H14FN5O3S and a molecular weight of 423.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide
PubChem CID24514494
Molecular FormulaC20H14FN5O3S
Molecular Weight423.43 g/mol
Exact Mass423.08
IUPAC Name2-(4-fluorophenyl)-4-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H14FN5O3S/c1-10-16(30-20(22-10)11-6-8-12(21)9-7-11)19(29)26-25-18(28)15-13-4-2-3-5-14(13)17(27)24-23-15/h2-9H,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyQTLHGHBXXQHVSS-UHFFFAOYSA-N
XLogP2.57
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-4-methyl-N'-(2-methylbenzoyl)-1,3-thiazole-5-carbohydrazide
CID 46636454
N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 18227296
N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
N'-(2-fluorobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970391
2-(4-fluorophenyl)-4-methyl-N'-[2-(4-methylanilino)acetyl]-1,3-thiazole-5-carbohydrazide
CID 55439179
4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439380
2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78823798
2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 74586861
2-(4-fluorophenyl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 17399055
4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide
CID 17435460
(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 51663849
N-[2-(methylsulfamoyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 102685137

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide (CID 24514494) is 2-(4-fluorophenyl)-4-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is QTLHGHBXXQHVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O3S/c1-10-16(30-20(22-10)11-6-8-12(21)9-7-11)19(29)26-25-18(28)15-13-4-2-3-5-14(13)17(27)24-23-15/h2-9H,1H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of 2-(4-fluorophenyl)-4-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide?
2-(4-fluorophenyl)-4-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 423.43 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 24514494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).