N,N-dimethyl-2,1,3-benzothiadiazol-4-amine

C8H9N3S — CID 3042603

IUPACN,N-dimethyl-2,1,3-benzothiadiazol-4-amine
SMILESCN(C)c1cccc2nsnc12
InChIInChI=1S/C8H9N3S/c1-11(2)7-5-3-4-6-8(7)10-12-9-6/h3-5H,1-2H3
InChIKeyDQEJCDUHWHWHKJ-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.76
Rot. Bonds1

About N,N-dimethyl-2,1,3-benzothiadiazol-4-amine

N,N-dimethyl-2,1,3-benzothiadiazol-4-amine (PubChem CID 3042603) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is N,N-dimethyl-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2,1,3-benzothiadiazol-4-amine
PubChem CID3042603
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC NameN,N-dimethyl-2,1,3-benzothiadiazol-4-amine
SMILESCN(C)c1cccc2nsnc12
InChIInChI=1S/C8H9N3S/c1-11(2)7-5-3-4-6-8(7)10-12-9-6/h3-5H,1-2H3
InChIKeyDQEJCDUHWHWHKJ-UHFFFAOYSA-N
XLogP1.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of N,N-dimethyl-2,1,3-benzothiadiazol-4-amine (CID 3042603) is N,N-dimethyl-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for N,N-dimethyl-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for N,N-dimethyl-2,1,3-benzothiadiazol-4-amine is CN(C)c1cccc2nsnc12.
What is the InChIKey of N,N-dimethyl-2,1,3-benzothiadiazol-4-amine?
The InChIKey is DQEJCDUHWHWHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-11(2)7-5-3-4-6-8(7)10-12-9-6/h3-5H,1-2H3.
What are the key properties of N,N-dimethyl-2,1,3-benzothiadiazol-4-amine?
N,N-dimethyl-2,1,3-benzothiadiazol-4-amine has a molecular weight of 179.25 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 3042603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).