N-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]thiadiazol-3-imine

C6H9N3S — CID 5323972

IUPACN-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]thiadiazol-3-imine
SMILESC/N=c1\snc2n1CCC2
InChIInChI=1S/C6H9N3S/c1-7-6-9-4-2-3-5(9)8-10-6/h2-4H2,1H3/b7-6-
InChIKeyBXHUDWPGNVAFJL-SREVYHEPSA-N
MW155.23 g/mol
LogP0.42
Rot. Bonds

About N-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]thiadiazol-3-imine

N-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]thiadiazol-3-imine (PubChem CID 5323972) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is N-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]thiadiazol-3-imine.

Molecular Properties

Compound NameN-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]thiadiazol-3-imine
PubChem CID5323972
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC NameN-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]thiadiazol-3-imine
SMILESC/N=c1\snc2n1CCC2
InChIInChI=1S/C6H9N3S/c1-7-6-9-4-2-3-5(9)8-10-6/h2-4H2,1H3/b7-6-
InChIKeyBXHUDWPGNVAFJL-SREVYHEPSA-N
XLogP0.42
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]thiadiazol-3-imine?
The IUPAC name of N-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]thiadiazol-3-imine (CID 5323972) is N-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]thiadiazol-3-imine.
What is the SMILES notation for N-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]thiadiazol-3-imine?
The canonical SMILES for N-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]thiadiazol-3-imine is C/N=c1\snc2n1CCC2.
What is the InChIKey of N-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]thiadiazol-3-imine?
The InChIKey is BXHUDWPGNVAFJL-SREVYHEPSA-N. The full InChI is InChI=1S/C6H9N3S/c1-7-6-9-4-2-3-5(9)8-10-6/h2-4H2,1H3/b7-6-.
What are the key properties of N-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]thiadiazol-3-imine?
N-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]thiadiazol-3-imine has a molecular weight of 155.23 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]thiadiazol-3-imine is sourced from PubChem (CID 5323972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).