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

C10H11N3OS — CID 3149533

IUPACN-propyl-1,2,3-benzothiadiazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2snnc2c1
InChIInChI=1S/C10H11N3OS/c1-2-5-11-10(14)7-3-4-9-8(6-7)12-13-15-9/h3-4,6H,2,5H2,1H3,(H,11,14)
InChIKeyVPDGEUJRACYZJC-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.83
Rot. Bonds3

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

N-propyl-1,2,3-benzothiadiazole-5-carboxamide (PubChem CID 3149533) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is N-propyl-1,2,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-propyl-1,2,3-benzothiadiazole-5-carboxamide
PubChem CID3149533
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC NameN-propyl-1,2,3-benzothiadiazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2snnc2c1
InChIInChI=1S/C10H11N3OS/c1-2-5-11-10(14)7-3-4-9-8(6-7)12-13-15-9/h3-4,6H,2,5H2,1H3,(H,11,14)
InChIKeyVPDGEUJRACYZJC-UHFFFAOYSA-N
XLogP1.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1,2,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-propyl-1,2,3-benzothiadiazole-5-carboxamide (CID 3149533) is N-propyl-1,2,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-propyl-1,2,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-propyl-1,2,3-benzothiadiazole-5-carboxamide is CCCNC(=O)c1ccc2snnc2c1.
What is the InChIKey of N-propyl-1,2,3-benzothiadiazole-5-carboxamide?
The InChIKey is VPDGEUJRACYZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-2-5-11-10(14)7-3-4-9-8(6-7)12-13-15-9/h3-4,6H,2,5H2,1H3,(H,11,14).
What are the key properties of N-propyl-1,2,3-benzothiadiazole-5-carboxamide?
N-propyl-1,2,3-benzothiadiazole-5-carboxamide has a molecular weight of 221.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1,2,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 3149533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).