N-(5-methyl-2,1,3-benzothiadiazol-4-yl)formamide

C8H7N3OS — CID 168653310

IUPACN-(5-methyl-2,1,3-benzothiadiazol-4-yl)formamide
SMILESCc1ccc2nsnc2c1NC=O
InChIInChI=1S/C8H7N3OS/c1-5-2-3-6-8(11-13-10-6)7(5)9-4-12/h2-4H,1H3,(H,9,12)
InChIKeyDDVOOLDQPDSMCU-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.57
Rot. Bonds2

About N-(5-methyl-2,1,3-benzothiadiazol-4-yl)formamide

N-(5-methyl-2,1,3-benzothiadiazol-4-yl)formamide (PubChem CID 168653310) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is N-(5-methyl-2,1,3-benzothiadiazol-4-yl)formamide.

Molecular Properties

Compound NameN-(5-methyl-2,1,3-benzothiadiazol-4-yl)formamide
PubChem CID168653310
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC NameN-(5-methyl-2,1,3-benzothiadiazol-4-yl)formamide
SMILESCc1ccc2nsnc2c1NC=O
InChIInChI=1S/C8H7N3OS/c1-5-2-3-6-8(11-13-10-6)7(5)9-4-12/h2-4H,1H3,(H,9,12)
InChIKeyDDVOOLDQPDSMCU-UHFFFAOYSA-N
XLogP1.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)formamide?
The IUPAC name of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)formamide (CID 168653310) is N-(5-methyl-2,1,3-benzothiadiazol-4-yl)formamide.
What is the SMILES notation for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)formamide?
The canonical SMILES for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)formamide is Cc1ccc2nsnc2c1NC=O.
What is the InChIKey of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)formamide?
The InChIKey is DDVOOLDQPDSMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c1-5-2-3-6-8(11-13-10-6)7(5)9-4-12/h2-4H,1H3,(H,9,12).
What are the key properties of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)formamide?
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)formamide has a molecular weight of 193.23 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)formamide is sourced from PubChem (CID 168653310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).