2-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-1,3-thiazole

C13H9N3O2S — CID 141141772

IUPAC2-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-1,3-thiazole
SMILESc1csc(-n2nccc2-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C13H9N3O2S/c1-2-11-12(18-8-17-11)7-9(1)10-3-4-15-16(10)13-14-5-6-19-13/h1-7H,8H2
InChIKeyAZZMFTXAIFOWGU-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.72
Rot. Bonds2

About 2-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-1,3-thiazole

2-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 141141772) has the molecular formula C13H9N3O2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-1,3-thiazole
PubChem CID141141772
Molecular FormulaC13H9N3O2S
Molecular Weight271.30 g/mol
Exact Mass271.04
IUPAC Name2-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-1,3-thiazole
SMILESc1csc(-n2nccc2-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C13H9N3O2S/c1-2-11-12(18-8-17-11)7-9(1)10-3-4-15-16(10)13-14-5-6-19-13/h1-7H,8H2
InChIKeyAZZMFTXAIFOWGU-UHFFFAOYSA-N
XLogP2.72
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(1,3-benzodioxol-5-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 71692533
2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine
CID 141141769
4-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 4875332
5-(1-benzothiophen-5-yl)-1,3-benzodioxole
CID 163567216
2-(1,3-benzodioxol-5-yl)-4-methylpyridine
CID 175812188
3-(1,3-benzodioxol-5-yl)-5-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,2,4-oxadiazole
CID 167961324
4-(1,3-benzodioxol-5-yl)pyridin-2-amine
CID 50951571
3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 146315974
[3-(1,3-benzodioxol-5-yl)imidazo[5,1-b][1,3]thiazol-5-yl]methanamine
CID 96669022
7-(1,3-benzodioxol-5-yl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855325
1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 90597467
6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 107646923

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 2-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-1,3-thiazole (CID 141141772) is 2-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-1,3-thiazole is c1csc(-n2nccc2-c2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is AZZMFTXAIFOWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2S/c1-2-11-12(18-8-17-11)7-9(1)10-3-4-15-16(10)13-14-5-6-19-13/h1-7H,8H2.
What are the key properties of 2-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-1,3-thiazole?
2-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 271.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 141141772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).