5-(1-pyrrolidin-1-ylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione

C9H16N4S2 — CID 61474772

IUPAC5-(1-pyrrolidin-1-ylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione
SMILESCC(CN1CCCC1)Nc1n[nH]c(=S)s1
InChIInChI=1S/C9H16N4S2/c1-7(6-13-4-2-3-5-13)10-8-11-12-9(14)15-8/h7H,2-6H2,1H3,(H,10,11)(H,12,14)
InChIKeyRWJXDSAGDSJXJC-UHFFFAOYSA-N
MW244.39 g/mol
LogP2.10
Rot. Bonds4

About 5-(1-pyrrolidin-1-ylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione

5-(1-pyrrolidin-1-ylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione (PubChem CID 61474772) has the molecular formula C9H16N4S2 and a molecular weight of 244.39 g/mol. Its IUPAC name is 5-(1-pyrrolidin-1-ylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-(1-pyrrolidin-1-ylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione
PubChem CID61474772
Molecular FormulaC9H16N4S2
Molecular Weight244.39 g/mol
Exact Mass244.08
IUPAC Name5-(1-pyrrolidin-1-ylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione
SMILESCC(CN1CCCC1)Nc1n[nH]c(=S)s1
InChIInChI=1S/C9H16N4S2/c1-7(6-13-4-2-3-5-13)10-8-11-12-9(14)15-8/h7H,2-6H2,1H3,(H,10,11)(H,12,14)
InChIKeyRWJXDSAGDSJXJC-UHFFFAOYSA-N
XLogP2.10
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1-pyrrolidin-1-ylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-(1-pyrrolidin-1-ylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione (CID 61474772) is 5-(1-pyrrolidin-1-ylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-(1-pyrrolidin-1-ylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-(1-pyrrolidin-1-ylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione is CC(CN1CCCC1)Nc1n[nH]c(=S)s1.
What is the InChIKey of 5-(1-pyrrolidin-1-ylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is RWJXDSAGDSJXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S2/c1-7(6-13-4-2-3-5-13)10-8-11-12-9(14)15-8/h7H,2-6H2,1H3,(H,10,11)(H,12,14).
What are the key properties of 5-(1-pyrrolidin-1-ylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione?
5-(1-pyrrolidin-1-ylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 244.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-pyrrolidin-1-ylpropan-2-ylamino)-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 61474772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).