N-isoquinolin-5-ylsulfonyl-1,3-thiazole-4-carboxamide

C13H9N3O3S2 — CID 98671337

IUPACN-isoquinolin-5-ylsulfonyl-1,3-thiazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2cnccc12)c1cscn1
InChIInChI=1S/C13H9N3O3S2/c17-13(11-7-20-8-15-11)16-21(18,19)12-3-1-2-9-6-14-5-4-10(9)12/h1-8H,(H,16,17)
InChIKeyTVBDJPDMZYQWPM-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.81
Rot. Bonds3

About N-isoquinolin-5-ylsulfonyl-1,3-thiazole-4-carboxamide

N-isoquinolin-5-ylsulfonyl-1,3-thiazole-4-carboxamide (PubChem CID 98671337) has the molecular formula C13H9N3O3S2 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-isoquinolin-5-ylsulfonyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-5-ylsulfonyl-1,3-thiazole-4-carboxamide
PubChem CID98671337
Molecular FormulaC13H9N3O3S2
Molecular Weight319.37 g/mol
Exact Mass319.01
IUPAC NameN-isoquinolin-5-ylsulfonyl-1,3-thiazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2cnccc12)c1cscn1
InChIInChI=1S/C13H9N3O3S2/c17-13(11-7-20-8-15-11)16-21(18,19)12-3-1-2-9-6-14-5-4-10(9)12/h1-8H,(H,16,17)
InChIKeyTVBDJPDMZYQWPM-UHFFFAOYSA-N
XLogP1.81
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-ylsulfonyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-isoquinolin-5-ylsulfonyl-1,3-thiazole-4-carboxamide (CID 98671337) is N-isoquinolin-5-ylsulfonyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-isoquinolin-5-ylsulfonyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-isoquinolin-5-ylsulfonyl-1,3-thiazole-4-carboxamide is O=C(NS(=O)(=O)c1cccc2cnccc12)c1cscn1.
What is the InChIKey of N-isoquinolin-5-ylsulfonyl-1,3-thiazole-4-carboxamide?
The InChIKey is TVBDJPDMZYQWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3S2/c17-13(11-7-20-8-15-11)16-21(18,19)12-3-1-2-9-6-14-5-4-10(9)12/h1-8H,(H,16,17).
What are the key properties of N-isoquinolin-5-ylsulfonyl-1,3-thiazole-4-carboxamide?
N-isoquinolin-5-ylsulfonyl-1,3-thiazole-4-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-ylsulfonyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 98671337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).