N,2-dimethyl-1,2,5-thiadiazol-3-imine

C4H7N3S — CID 90654246

IUPACN,2-dimethyl-1,2,5-thiadiazol-3-imine
SMILESC/N=c1\cnsn1C
InChIInChI=1S/C4H7N3S/c1-5-4-3-6-8-7(4)2/h3H,1-2H3/b5-4+
InChIKeyVKBTTXOZFUNHCB-SNAWJCMRSA-N
MW129.19 g/mol
LogP0.01
Rot. Bonds

About N,2-dimethyl-1,2,5-thiadiazol-3-imine

N,2-dimethyl-1,2,5-thiadiazol-3-imine (PubChem CID 90654246) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is N,2-dimethyl-1,2,5-thiadiazol-3-imine.

Molecular Properties

Compound NameN,2-dimethyl-1,2,5-thiadiazol-3-imine
PubChem CID90654246
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC NameN,2-dimethyl-1,2,5-thiadiazol-3-imine
SMILESC/N=c1\cnsn1C
InChIInChI=1S/C4H7N3S/c1-5-4-3-6-8-7(4)2/h3H,1-2H3/b5-4+
InChIKeyVKBTTXOZFUNHCB-SNAWJCMRSA-N
XLogP0.01
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1,2,5-thiadiazol-3-imine?
The IUPAC name of N,2-dimethyl-1,2,5-thiadiazol-3-imine (CID 90654246) is N,2-dimethyl-1,2,5-thiadiazol-3-imine.
What is the SMILES notation for N,2-dimethyl-1,2,5-thiadiazol-3-imine?
The canonical SMILES for N,2-dimethyl-1,2,5-thiadiazol-3-imine is C/N=c1\cnsn1C.
What is the InChIKey of N,2-dimethyl-1,2,5-thiadiazol-3-imine?
The InChIKey is VKBTTXOZFUNHCB-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H7N3S/c1-5-4-3-6-8-7(4)2/h3H,1-2H3/b5-4+.
What are the key properties of N,2-dimethyl-1,2,5-thiadiazol-3-imine?
N,2-dimethyl-1,2,5-thiadiazol-3-imine has a molecular weight of 129.19 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1,2,5-thiadiazol-3-imine is sourced from PubChem (CID 90654246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).