N,2-dimethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine

C7H14N4S — CID 115303221

IUPACN,2-dimethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCNCC(C)CNc1ncns1
InChIInChI=1S/C7H14N4S/c1-6(3-8-2)4-9-7-10-5-11-12-7/h5-6,8H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyFZRQFJGQBVANAL-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.81
Rot. Bonds5

About N,2-dimethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine

N,2-dimethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 115303221) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is N,2-dimethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID115303221
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC NameN,2-dimethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCNCC(C)CNc1ncns1
InChIInChI=1S/C7H14N4S/c1-6(3-8-2)4-9-7-10-5-11-12-7/h5-6,8H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyFZRQFJGQBVANAL-UHFFFAOYSA-N
XLogP0.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 115303221) is N,2-dimethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine is CNCC(C)CNc1ncns1.
What is the InChIKey of N,2-dimethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is FZRQFJGQBVANAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-6(3-8-2)4-9-7-10-5-11-12-7/h5-6,8H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of N,2-dimethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N,2-dimethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 186.28 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 115303221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).