5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione

C8H16N4OS2 — CID 62844351

IUPAC5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione
SMILESCOCCN(C)CCNc1n[nH]c(=S)s1
InChIInChI=1S/C8H16N4OS2/c1-12(5-6-13-2)4-3-9-7-10-11-8(14)15-7/h3-6H2,1-2H3,(H,9,10)(H,11,14)
InChIKeyRHBXDJCWRDIGFC-UHFFFAOYSA-N
MW248.38 g/mol
LogP1.19
Rot. Bonds7

About 5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione

5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione (PubChem CID 62844351) has the molecular formula C8H16N4OS2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione
PubChem CID62844351
Molecular FormulaC8H16N4OS2
Molecular Weight248.38 g/mol
Exact Mass248.08
IUPAC Name5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione
SMILESCOCCN(C)CCNc1n[nH]c(=S)s1
InChIInChI=1S/C8H16N4OS2/c1-12(5-6-13-2)4-3-9-7-10-11-8(14)15-7/h3-6H2,1-2H3,(H,9,10)(H,11,14)
InChIKeyRHBXDJCWRDIGFC-UHFFFAOYSA-N
XLogP1.19
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[cyclopropyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione
CID 62979574
5-(3-propoxypropylamino)-3H-1,3,4-thiadiazole-2-thione
CID 82944099
N'-(2-methoxyethyl)-N'-methyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65273687
methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 113307081
N'-(2-methoxyethyl)-N'-methyl-N-pyridin-4-ylethane-1,2-diamine
CID 62844188
methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate
CID 62848698
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844860
4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine
CID 114995368
N-(6-fluoro-1,3-benzothiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 79144623
2-[[5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 62844514
methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate
CID 113307080
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62923091

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione (CID 62844351) is 5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione is COCCN(C)CCNc1n[nH]c(=S)s1.
What is the InChIKey of 5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is RHBXDJCWRDIGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS2/c1-12(5-6-13-2)4-3-9-7-10-11-8(14)15-7/h3-6H2,1-2H3,(H,9,10)(H,11,14).
What are the key properties of 5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione?
5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 248.38 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 62844351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).