3-[cyclopropyl(1,2,4-thiadiazol-5-yl)amino]propanimidamide

C8H13N5S — CID 65272361

IUPAC3-[cyclopropyl(1,2,4-thiadiazol-5-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1ncns1)C1CC1
InChIInChI=1S/C8H13N5S/c9-7(10)3-4-13(6-1-2-6)8-11-5-12-14-8/h5-6H,1-4H2,(H3,9,10)
InChIKeyKEJFEOFAFKDJSS-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.83
Rot. Bonds5

About 3-[cyclopropyl(1,2,4-thiadiazol-5-yl)amino]propanimidamide

3-[cyclopropyl(1,2,4-thiadiazol-5-yl)amino]propanimidamide (PubChem CID 65272361) has the molecular formula C8H13N5S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-[cyclopropyl(1,2,4-thiadiazol-5-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(1,2,4-thiadiazol-5-yl)amino]propanimidamide
PubChem CID65272361
Molecular FormulaC8H13N5S
Molecular Weight211.29 g/mol
Exact Mass211.09
IUPAC Name3-[cyclopropyl(1,2,4-thiadiazol-5-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1ncns1)C1CC1
InChIInChI=1S/C8H13N5S/c9-7(10)3-4-13(6-1-2-6)8-11-5-12-14-8/h5-6H,1-4H2,(H3,9,10)
InChIKeyKEJFEOFAFKDJSS-UHFFFAOYSA-N
XLogP0.83
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide
CID 65272472
3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide
CID 65209210
3-[(5-bromopyrimidin-2-yl)-cyclopropylamino]propanimidamide
CID 63873192
N'-cyclohexyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270703
N-(2-bromoethyl)-N-cyclobutyl-1,2,4-thiadiazol-5-amine
CID 102871525
3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide
CID 54997310
N-cyclopropyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 106641188
N-[(2-aminophenyl)methyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65276126
3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
CID 55156215
3-[cyclopropyl-(3-propyltriazol-4-yl)amino]propanimidamide
CID 114222709
N-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 66214743
3-[cyclopropyl-(3,5-dimethylcyclohexyl)amino]propanimidamide
CID 64737100

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(1,2,4-thiadiazol-5-yl)amino]propanimidamide?
The IUPAC name of 3-[cyclopropyl(1,2,4-thiadiazol-5-yl)amino]propanimidamide (CID 65272361) is 3-[cyclopropyl(1,2,4-thiadiazol-5-yl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclopropyl(1,2,4-thiadiazol-5-yl)amino]propanimidamide?
The canonical SMILES for 3-[cyclopropyl(1,2,4-thiadiazol-5-yl)amino]propanimidamide is [H]/N=C(\N)CCN(c1ncns1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(1,2,4-thiadiazol-5-yl)amino]propanimidamide?
The InChIKey is KEJFEOFAFKDJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5S/c9-7(10)3-4-13(6-1-2-6)8-11-5-12-14-8/h5-6H,1-4H2,(H3,9,10).
What are the key properties of 3-[cyclopropyl(1,2,4-thiadiazol-5-yl)amino]propanimidamide?
3-[cyclopropyl(1,2,4-thiadiazol-5-yl)amino]propanimidamide has a molecular weight of 211.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(1,2,4-thiadiazol-5-yl)amino]propanimidamide is sourced from PubChem (CID 65272361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).