5-[2-[di(propan-2-yl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione

C10H20N4S2 — CID 29062954

IUPAC5-[2-[di(propan-2-yl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione
SMILESCC(C)N(CCNc1n[nH]c(=S)s1)C(C)C
InChIInChI=1S/C10H20N4S2/c1-7(2)14(8(3)4)6-5-11-9-12-13-10(15)16-9/h7-8H,5-6H2,1-4H3,(H,11,12)(H,13,15)
InChIKeyQVSDUJPMBOBUSI-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.73
Rot. Bonds6

About 5-[2-[di(propan-2-yl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione

5-[2-[di(propan-2-yl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione (PubChem CID 29062954) has the molecular formula C10H20N4S2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 5-[2-[di(propan-2-yl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-[2-[di(propan-2-yl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione
PubChem CID29062954
Molecular FormulaC10H20N4S2
Molecular Weight260.43 g/mol
Exact Mass260.11
IUPAC Name5-[2-[di(propan-2-yl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione
SMILESCC(C)N(CCNc1n[nH]c(=S)s1)C(C)C
InChIInChI=1S/C10H20N4S2/c1-7(2)14(8(3)4)6-5-11-9-12-13-10(15)16-9/h7-8H,5-6H2,1-4H3,(H,11,12)(H,13,15)
InChIKeyQVSDUJPMBOBUSI-UHFFFAOYSA-N
XLogP2.73
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-[di(propan-2-yl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[di(propan-2-yl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-[2-[di(propan-2-yl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione (CID 29062954) is 5-[2-[di(propan-2-yl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-[2-[di(propan-2-yl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-[2-[di(propan-2-yl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione is CC(C)N(CCNc1n[nH]c(=S)s1)C(C)C.
What is the InChIKey of 5-[2-[di(propan-2-yl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is QVSDUJPMBOBUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S2/c1-7(2)14(8(3)4)6-5-11-9-12-13-10(15)16-9/h7-8H,5-6H2,1-4H3,(H,11,12)(H,13,15).
What are the key properties of 5-[2-[di(propan-2-yl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione?
5-[2-[di(propan-2-yl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 260.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[di(propan-2-yl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 29062954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).