N-cyclopropyl-1,2,3-benzothiadiazole-5-carboxamide

C10H9N3OS — CID 1072939

IUPACN-cyclopropyl-1,2,3-benzothiadiazole-5-carboxamide
SMILESO=C(NC1CC1)c1ccc2snnc2c1
InChIInChI=1S/C10H9N3OS/c14-10(11-7-2-3-7)6-1-4-9-8(5-6)12-13-15-9/h1,4-5,7H,2-3H2,(H,11,14)
InChIKeyXQUQEGUYTUEHOL-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.58
Rot. Bonds2

About N-cyclopropyl-1,2,3-benzothiadiazole-5-carboxamide

N-cyclopropyl-1,2,3-benzothiadiazole-5-carboxamide (PubChem CID 1072939) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is N-cyclopropyl-1,2,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1,2,3-benzothiadiazole-5-carboxamide
PubChem CID1072939
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC NameN-cyclopropyl-1,2,3-benzothiadiazole-5-carboxamide
SMILESO=C(NC1CC1)c1ccc2snnc2c1
InChIInChI=1S/C10H9N3OS/c14-10(11-7-2-3-7)6-1-4-9-8(5-6)12-13-15-9/h1,4-5,7H,2-3H2,(H,11,14)
InChIKeyXQUQEGUYTUEHOL-UHFFFAOYSA-N
XLogP1.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,2,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-1,2,3-benzothiadiazole-5-carboxamide (CID 1072939) is N-cyclopropyl-1,2,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-1,2,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-1,2,3-benzothiadiazole-5-carboxamide is O=C(NC1CC1)c1ccc2snnc2c1.
What is the InChIKey of N-cyclopropyl-1,2,3-benzothiadiazole-5-carboxamide?
The InChIKey is XQUQEGUYTUEHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c14-10(11-7-2-3-7)6-1-4-9-8(5-6)12-13-15-9/h1,4-5,7H,2-3H2,(H,11,14).
What are the key properties of N-cyclopropyl-1,2,3-benzothiadiazole-5-carboxamide?
N-cyclopropyl-1,2,3-benzothiadiazole-5-carboxamide has a molecular weight of 219.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,2,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 1072939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).