2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetohydrazide

C23H20N6O3S — CID 167752630

IUPAC2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetohydrazide
SMILESCc1cc(NNC(=O)Cc2csc(-c3ccc4c(c3)OCCO4)n2)nc(-c2ccccn2)n1
InChIInChI=1S/C23H20N6O3S/c1-14-10-20(27-22(25-14)17-4-2-3-7-24-17)28-29-21(30)12-16-13-33-23(26-16)15-5-6-18-19(11-15)32-9-8-31-18/h2-7,10-11,13H,8-9,12H2,1H3,(H,29,30)(H,25,27,28)
InChIKeyUISBNEBDQIURFL-UHFFFAOYSA-N
MW460.52 g/mol
LogP3.43
Rot. Bonds6

About 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetohydrazide

2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetohydrazide (PubChem CID 167752630) has the molecular formula C23H20N6O3S and a molecular weight of 460.52 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetohydrazide.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetohydrazide
PubChem CID167752630
Molecular FormulaC23H20N6O3S
Molecular Weight460.52 g/mol
Exact Mass460.13
IUPAC Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetohydrazide
SMILESCc1cc(NNC(=O)Cc2csc(-c3ccc4c(c3)OCCO4)n2)nc(-c2ccccn2)n1
InChIInChI=1S/C23H20N6O3S/c1-14-10-20(27-22(25-14)17-4-2-3-7-24-17)28-29-21(30)12-16-13-33-23(26-16)15-5-6-18-19(11-15)32-9-8-31-18/h2-7,10-11,13H,8-9,12H2,1H3,(H,29,30)(H,25,27,28)
InChIKeyUISBNEBDQIURFL-UHFFFAOYSA-N
XLogP3.43
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 39820857
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 96548679
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 33141890
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8850656
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole
CID 2811155
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8776935
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 43327447
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205416
N-(3-acetylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34829771
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
CID 51118347
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide
CID 126827360

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetohydrazide?
The IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetohydrazide (CID 167752630) is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetohydrazide.
What is the SMILES notation for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetohydrazide?
The canonical SMILES for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetohydrazide is Cc1cc(NNC(=O)Cc2csc(-c3ccc4c(c3)OCCO4)n2)nc(-c2ccccn2)n1.
What is the InChIKey of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetohydrazide?
The InChIKey is UISBNEBDQIURFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3S/c1-14-10-20(27-22(25-14)17-4-2-3-7-24-17)28-29-21(30)12-16-13-33-23(26-16)15-5-6-18-19(11-15)32-9-8-31-18/h2-7,10-11,13H,8-9,12H2,1H3,(H,29,30)(H,25,27,28).
What are the key properties of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetohydrazide?
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetohydrazide has a molecular weight of 460.52 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetohydrazide is sourced from PubChem (CID 167752630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).