7-acetamido-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-1-carboxamide

C11H11N5O2S — CID 11492822

IUPAC7-acetamido-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-1-carboxamide
SMILESCC(=O)Nc1nc2c(s1)-c1c(cnn1C(N)=O)CC2
InChIInChI=1S/C11H11N5O2S/c1-5(17)14-11-15-7-3-2-6-4-13-16(10(12)18)8(6)9(7)19-11/h4H,2-3H2,1H3,(H2,12,18)(H,14,15,17)
InChIKeyQHMXUPDXAOFQLR-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.99
Rot. Bonds1

About 7-acetamido-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-1-carboxamide

7-acetamido-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-1-carboxamide (PubChem CID 11492822) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 7-acetamido-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-1-carboxamide.

Molecular Properties

Compound Name7-acetamido-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-1-carboxamide
PubChem CID11492822
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Name7-acetamido-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-1-carboxamide
SMILESCC(=O)Nc1nc2c(s1)-c1c(cnn1C(N)=O)CC2
InChIInChI=1S/C11H11N5O2S/c1-5(17)14-11-15-7-3-2-6-4-13-16(10(12)18)8(6)9(7)19-11/h4H,2-3H2,1H3,(H2,12,18)(H,14,15,17)
InChIKeyQHMXUPDXAOFQLR-UHFFFAOYSA-N
XLogP0.99
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-acetamido-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-1-carboxamide?
The IUPAC name of 7-acetamido-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-1-carboxamide (CID 11492822) is 7-acetamido-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-1-carboxamide.
What is the SMILES notation for 7-acetamido-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-1-carboxamide?
The canonical SMILES for 7-acetamido-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-1-carboxamide is CC(=O)Nc1nc2c(s1)-c1c(cnn1C(N)=O)CC2.
What is the InChIKey of 7-acetamido-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-1-carboxamide?
The InChIKey is QHMXUPDXAOFQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c1-5(17)14-11-15-7-3-2-6-4-13-16(10(12)18)8(6)9(7)19-11/h4H,2-3H2,1H3,(H2,12,18)(H,14,15,17).
What are the key properties of 7-acetamido-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-1-carboxamide?
7-acetamido-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-1-carboxamide has a molecular weight of 277.31 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-1-carboxamide is sourced from PubChem (CID 11492822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).