3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanimidamide

C7H13N5S2 — CID 63738897

IUPAC3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanimidamide
SMILES[H]/N=C(\N)CCSc1nnc(N(C)C)s1
InChIInChI=1S/C7H13N5S2/c1-12(2)6-10-11-7(14-6)13-4-3-5(8)9/h3-4H2,1-2H3,(H3,8,9)
InChIKeyDMENAYQURVGPMX-UHFFFAOYSA-N
MW231.35 g/mol
LogP1.02
Rot. Bonds5

About 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanimidamide

3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanimidamide (PubChem CID 63738897) has the molecular formula C7H13N5S2 and a molecular weight of 231.35 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanimidamide.

Molecular Properties

Compound Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanimidamide
PubChem CID63738897
Molecular FormulaC7H13N5S2
Molecular Weight231.35 g/mol
Exact Mass231.06
IUPAC Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanimidamide
SMILES[H]/N=C(\N)CCSc1nnc(N(C)C)s1
InChIInChI=1S/C7H13N5S2/c1-12(2)6-10-11-7(14-6)13-4-3-5(8)9/h3-4H2,1-2H3,(H3,8,9)
InChIKeyDMENAYQURVGPMX-UHFFFAOYSA-N
XLogP1.02
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanimidamide?
The IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanimidamide (CID 63738897) is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanimidamide.
What is the SMILES notation for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanimidamide?
The canonical SMILES for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanimidamide is [H]/N=C(\N)CCSc1nnc(N(C)C)s1.
What is the InChIKey of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanimidamide?
The InChIKey is DMENAYQURVGPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5S2/c1-12(2)6-10-11-7(14-6)13-4-3-5(8)9/h3-4H2,1-2H3,(H3,8,9).
What are the key properties of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanimidamide?
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanimidamide has a molecular weight of 231.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanimidamide is sourced from PubChem (CID 63738897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).