5-(cyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione

C6H9N3S2 — CID 2732302

IUPAC5-(cyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(NCC2CC2)s1
InChIInChI=1S/C6H9N3S2/c10-6-9-8-5(11-6)7-3-4-1-2-4/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKeyGFUPFRRPORQHFD-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.02
Rot. Bonds3

About 5-(cyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione

5-(cyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione (PubChem CID 2732302) has the molecular formula C6H9N3S2 and a molecular weight of 187.29 g/mol. Its IUPAC name is 5-(cyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-(cyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione
PubChem CID2732302
Molecular FormulaC6H9N3S2
Molecular Weight187.29 g/mol
Exact Mass187.02
IUPAC Name5-(cyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(NCC2CC2)s1
InChIInChI=1S/C6H9N3S2/c10-6-9-8-5(11-6)7-3-4-1-2-4/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKeyGFUPFRRPORQHFD-UHFFFAOYSA-N
XLogP2.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-(cyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione (CID 2732302) is 5-(cyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-(cyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-(cyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione is S=c1[nH]nc(NCC2CC2)s1.
What is the InChIKey of 5-(cyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is GFUPFRRPORQHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S2/c10-6-9-8-5(11-6)7-3-4-1-2-4/h4H,1-3H2,(H,7,8)(H,9,10).
What are the key properties of 5-(cyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione?
5-(cyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 187.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylamino)-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 2732302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).