2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol

C9H19N5OS — CID 62245513

IUPAC2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1nnsc1NN
InChIInChI=1S/C9H19N5OS/c1-2-3-4-14(5-6-15)7-8-9(11-10)16-13-12-8/h11,15H,2-7,10H2,1H3
InChIKeyWMRZXMJPUVCSNT-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.42
Rot. Bonds8

About 2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol

2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol (PubChem CID 62245513) has the molecular formula C9H19N5OS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol
PubChem CID62245513
Molecular FormulaC9H19N5OS
Molecular Weight245.35 g/mol
Exact Mass245.13
IUPAC Name2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1nnsc1NN
InChIInChI=1S/C9H19N5OS/c1-2-3-4-14(5-6-15)7-8-9(11-10)16-13-12-8/h11,15H,2-7,10H2,1H3
InChIKeyWMRZXMJPUVCSNT-UHFFFAOYSA-N
XLogP0.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
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-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 62184428
3-[(5-hydrazinylthiadiazol-4-yl)methyl-propan-2-ylamino]propan-1-ol
CID 62245164
4-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62184460
3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile
CID 62244391
N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylethanamine
CID 62244626
2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol
CID 60696603
2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]-N-methylacetamide
CID 62246445
2-[butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol
CID 60689088
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]ethanol
CID 62252322
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol
CID 62207728

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol (CID 62245513) is 2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol is CCCCN(CCO)Cc1nnsc1NN.
What is the InChIKey of 2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol?
The InChIKey is WMRZXMJPUVCSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5OS/c1-2-3-4-14(5-6-15)7-8-9(11-10)16-13-12-8/h11,15H,2-7,10H2,1H3.
What are the key properties of 2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol?
2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol has a molecular weight of 245.35 g/mol, XLogP of 0.42, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 62245513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).