3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide

C7H13N5OS2 — CID 63737003

IUPAC3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide
SMILESCN(C)c1nnc(SCCC(=O)NN)s1
InChIInChI=1S/C7H13N5OS2/c1-12(2)6-10-11-7(15-6)14-4-3-5(13)9-8/h3-4,8H2,1-2H3,(H,9,13)
InChIKeyVQEIDQJSACIJCT-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.08
Rot. Bonds5

About 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide

3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide (PubChem CID 63737003) has the molecular formula C7H13N5OS2 and a molecular weight of 247.35 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide.

Molecular Properties

Compound Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide
PubChem CID63737003
Molecular FormulaC7H13N5OS2
Molecular Weight247.35 g/mol
Exact Mass247.06
IUPAC Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide
SMILESCN(C)c1nnc(SCCC(=O)NN)s1
InChIInChI=1S/C7H13N5OS2/c1-12(2)6-10-11-7(15-6)14-4-3-5(13)9-8/h3-4,8H2,1-2H3,(H,9,13)
InChIKeyVQEIDQJSACIJCT-UHFFFAOYSA-N
XLogP0.08
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 63737450
N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 63738165
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanimidamide
CID 63738897
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylpropan-1-one
CID 115659222
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide
CID 63736840
methyl 2-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylhexanoate
CID 63737323
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-2-ol
CID 79165700
methyl 2-bromo-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 81091198
6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,2-dimethylhexanoic acid
CID 106714499
6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexanamide
CID 63738554
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide
CID 63736656
6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)hexanoic acid
CID 63739261

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide?
The IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide (CID 63737003) is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide.
What is the SMILES notation for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide?
The canonical SMILES for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide is CN(C)c1nnc(SCCC(=O)NN)s1.
What is the InChIKey of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide?
The InChIKey is VQEIDQJSACIJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5OS2/c1-12(2)6-10-11-7(15-6)14-4-3-5(13)9-8/h3-4,8H2,1-2H3,(H,9,13).
What are the key properties of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide?
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide has a molecular weight of 247.35 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide is sourced from PubChem (CID 63737003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).