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

C7H12N4S2 — CID 60876759

IUPAC2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide
SMILES[H]/N=C(\N)C(C)CSc1nnc(C)s1
InChIInChI=1S/C7H12N4S2/c1-4(6(8)9)3-12-7-11-10-5(2)13-7/h4H,3H2,1-2H3,(H3,8,9)
InChIKeyUOSRODXSACXBHW-UHFFFAOYSA-N
MW216.34 g/mol
LogP1.51
Rot. Bonds4

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

2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide (PubChem CID 60876759) has the molecular formula C7H12N4S2 and a molecular weight of 216.34 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide
PubChem CID60876759
Molecular FormulaC7H12N4S2
Molecular Weight216.34 g/mol
Exact Mass216.05
IUPAC Name2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide
SMILES[H]/N=C(\N)C(C)CSc1nnc(C)s1
InChIInChI=1S/C7H12N4S2/c1-4(6(8)9)3-12-7-11-10-5(2)13-7/h4H,3H2,1-2H3,(H3,8,9)
InChIKeyUOSRODXSACXBHW-UHFFFAOYSA-N
XLogP1.51
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide?
The IUPAC name of 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide (CID 60876759) is 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide.
What is the SMILES notation for 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide?
The canonical SMILES for 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide is [H]/N=C(\N)C(C)CSc1nnc(C)s1.
What is the InChIKey of 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide?
The InChIKey is UOSRODXSACXBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S2/c1-4(6(8)9)3-12-7-11-10-5(2)13-7/h4H,3H2,1-2H3,(H3,8,9).
What are the key properties of 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide?
2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide has a molecular weight of 216.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide is sourced from PubChem (CID 60876759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).