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

C15H12N4OS — CID 69486963

IUPAC1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-7-carboxamide
SMILESNC(=O)c1nc2c(s1)-c1c(cnn1-c1ccccc1)CC2
InChIInChI=1S/C15H12N4OS/c16-14(20)15-18-11-7-6-9-8-17-19(12(9)13(11)21-15)10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H2,16,20)
InChIKeyCVOZAEYVDHVJOQ-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.19
Rot. Bonds2

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

1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-7-carboxamide (PubChem CID 69486963) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-7-carboxamide.

Molecular Properties

Compound Name1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-7-carboxamide
PubChem CID69486963
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-7-carboxamide
SMILESNC(=O)c1nc2c(s1)-c1c(cnn1-c1ccccc1)CC2
InChIInChI=1S/C15H12N4OS/c16-14(20)15-18-11-7-6-9-8-17-19(12(9)13(11)21-15)10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H2,16,20)
InChIKeyCVOZAEYVDHVJOQ-UHFFFAOYSA-N
XLogP2.19
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-7-carboxamide?
The IUPAC name of 1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-7-carboxamide (CID 69486963) is 1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-7-carboxamide.
What is the SMILES notation for 1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-7-carboxamide?
The canonical SMILES for 1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-7-carboxamide is NC(=O)c1nc2c(s1)-c1c(cnn1-c1ccccc1)CC2.
What is the InChIKey of 1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-7-carboxamide?
The InChIKey is CVOZAEYVDHVJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c16-14(20)15-18-11-7-6-9-8-17-19(12(9)13(11)21-15)10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H2,16,20).
What are the key properties of 1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-7-carboxamide?
1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-7-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-7-carboxamide is sourced from PubChem (CID 69486963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).