5-[2-(dihydroxyamino)oxyethyl]-4-methyl-N'-phthalazin-1-yl-1,3-thiazole-2-carbohydrazide

C15H16N6O4S — CID 66641598

IUPAC5-[2-(dihydroxyamino)oxyethyl]-4-methyl-N'-phthalazin-1-yl-1,3-thiazole-2-carbohydrazide
SMILESCc1nc(C(=O)NNc2nncc3ccccc23)sc1CCON(O)O
InChIInChI=1S/C15H16N6O4S/c1-9-12(6-7-25-21(23)24)26-15(17-9)14(22)20-19-13-11-5-3-2-4-10(11)8-16-18-13/h2-5,8,23-24H,6-7H2,1H3,(H,18,19)(H,20,22)
InChIKeyHIQDEEBBANJRKX-UHFFFAOYSA-N
MW376.40 g/mol
LogP1.71
Rot. Bonds7

About 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-N'-phthalazin-1-yl-1,3-thiazole-2-carbohydrazide

5-[2-(dihydroxyamino)oxyethyl]-4-methyl-N'-phthalazin-1-yl-1,3-thiazole-2-carbohydrazide (PubChem CID 66641598) has the molecular formula C15H16N6O4S and a molecular weight of 376.40 g/mol. Its IUPAC name is 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-N'-phthalazin-1-yl-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name5-[2-(dihydroxyamino)oxyethyl]-4-methyl-N'-phthalazin-1-yl-1,3-thiazole-2-carbohydrazide
PubChem CID66641598
Molecular FormulaC15H16N6O4S
Molecular Weight376.40 g/mol
Exact Mass376.10
IUPAC Name5-[2-(dihydroxyamino)oxyethyl]-4-methyl-N'-phthalazin-1-yl-1,3-thiazole-2-carbohydrazide
SMILESCc1nc(C(=O)NNc2nncc3ccccc23)sc1CCON(O)O
InChIInChI=1S/C15H16N6O4S/c1-9-12(6-7-25-21(23)24)26-15(17-9)14(22)20-19-13-11-5-3-2-4-10(11)8-16-18-13/h2-5,8,23-24H,6-7H2,1H3,(H,18,19)(H,20,22)
InChIKeyHIQDEEBBANJRKX-UHFFFAOYSA-N
XLogP1.71
TPSA132.73 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(phthalazin-1-ylamino)carbamate;hydrochloride
CID 19604
5-[2-(dihydroxyamino)oxyethyl]-4-methyl-1,3-thiazole-2-carboxylic acid
CID 66641771
1-(1-cyclohexylidenepropyl)-2-phthalazin-1-ylhydrazine
CID 91376794
5-[2-(dihydroxyamino)oxyethyl]-2-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole
CID 66641593
5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole
CID 66641574
2-(phthalazin-1-ylamino)acetamide
CID 43395562
3-(phthalazin-1-ylamino)propanoic acid
CID 43419849
methyl 6-(phthalazin-1-ylamino)hexanoate
CID 60631363
N-tert-butyl-2-(phthalazin-1-ylamino)acetamide
CID 78911728
2-(phthalazin-1-ylamino)ethanol
CID 2065587
N-(2,2-difluoroethyl)phthalazin-1-amine
CID 115407622
2-methyl-2-(phthalazin-1-ylamino)pentanoic acid
CID 43619317

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-N'-phthalazin-1-yl-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-N'-phthalazin-1-yl-1,3-thiazole-2-carbohydrazide (CID 66641598) is 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-N'-phthalazin-1-yl-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-N'-phthalazin-1-yl-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-N'-phthalazin-1-yl-1,3-thiazole-2-carbohydrazide is Cc1nc(C(=O)NNc2nncc3ccccc23)sc1CCON(O)O.
What is the InChIKey of 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-N'-phthalazin-1-yl-1,3-thiazole-2-carbohydrazide?
The InChIKey is HIQDEEBBANJRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O4S/c1-9-12(6-7-25-21(23)24)26-15(17-9)14(22)20-19-13-11-5-3-2-4-10(11)8-16-18-13/h2-5,8,23-24H,6-7H2,1H3,(H,18,19)(H,20,22).
What are the key properties of 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-N'-phthalazin-1-yl-1,3-thiazole-2-carbohydrazide?
5-[2-(dihydroxyamino)oxyethyl]-4-methyl-N'-phthalazin-1-yl-1,3-thiazole-2-carbohydrazide has a molecular weight of 376.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dihydroxyamino)oxyethyl]-4-methyl-N'-phthalazin-1-yl-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 66641598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).