3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol

C9H19N5OS — CID 62245164

IUPAC3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)Cc1nnsc1NN
InChIInChI=1S/C9H19N5OS/c1-7(2)14(4-3-5-15)6-8-9(11-10)16-13-12-8/h7,11,15H,3-6,10H2,1-2H3
InChIKeyDTBJNBVXSLTWDF-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.42
Rot. Bonds7

About 3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol

3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol (PubChem CID 62245164) has the molecular formula C9H19N5OS and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol
PubChem CID62245164
Molecular FormulaC9H19N5OS
Molecular Weight245.35 g/mol
Exact Mass245.13
IUPAC Name3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)Cc1nnsc1NN
InChIInChI=1S/C9H19N5OS/c1-7(2)14(4-3-5-15)6-8-9(11-10)16-13-12-8/h7,11,15H,3-6,10H2,1-2H3
InChIKeyDTBJNBVXSLTWDF-UHFFFAOYSA-N
XLogP0.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol
CID 62245305
2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol
CID 62245513
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol
CID 62207728
3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
CID 62890826
N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylethanamine
CID 62244626
2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]ethanol
CID 62252322
3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile
CID 62244391
2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide
CID 62246445
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
CID 63578253
[4-(4-methylpentoxymethyl)thiadiazol-5-yl]hydrazine
CID 62245827
4-[[butan-2-yl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62182204
2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol
CID 104554389

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol (CID 62245164) is 3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)Cc1nnsc1NN.
What is the InChIKey of 3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol?
The InChIKey is DTBJNBVXSLTWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5OS/c1-7(2)14(4-3-5-15)6-8-9(11-10)16-13-12-8/h7,11,15H,3-6,10H2,1-2H3.
What are the key properties of 3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol?
3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol has a molecular weight of 245.35 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 62245164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).