N'-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

C7H14N4S — CID 65275618

IUPACN'-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCC(C)NCCNc1ncns1
InChIInChI=1S/C7H14N4S/c1-6(2)8-3-4-9-7-10-5-11-12-7/h5-6,8H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyNPGTXAQACJFXMV-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.95
Rot. Bonds5

About N'-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

N'-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 65275618) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is N'-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID65275618
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC NameN'-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCC(C)NCCNc1ncns1
InChIInChI=1S/C7H14N4S/c1-6(2)8-3-4-9-7-10-5-11-12-7/h5-6,8H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyNPGTXAQACJFXMV-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 65275618) is N'-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is CC(C)NCCNc1ncns1.
What is the InChIKey of N'-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is NPGTXAQACJFXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-6(2)8-3-4-9-7-10-5-11-12-7/h5-6,8H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of N'-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
N'-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 186.28 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 65275618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).