5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine

C8H10BrN5S — CID 64623662

IUPAC5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine
SMILESBrc1nnc(NCCCn2ccnc2)s1
InChIInChI=1S/C8H10BrN5S/c9-7-12-13-8(15-7)11-2-1-4-14-5-3-10-6-14/h3,5-6H,1-2,4H2,(H,11,13)
InChIKeyOULSAGZUCZHGHZ-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.00
Rot. Bonds5

About 5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine

5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 64623662) has the molecular formula C8H10BrN5S and a molecular weight of 288.17 g/mol. Its IUPAC name is 5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID64623662
Molecular FormulaC8H10BrN5S
Molecular Weight288.17 g/mol
Exact Mass286.98
IUPAC Name5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine
SMILESBrc1nnc(NCCCn2ccnc2)s1
InChIInChI=1S/C8H10BrN5S/c9-7-12-13-8(15-7)11-2-1-4-14-5-3-10-6-14/h3,5-6H,1-2,4H2,(H,11,13)
InChIKeyOULSAGZUCZHGHZ-UHFFFAOYSA-N
XLogP2.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-1-methylimidazol-2-amine
CID 62132911
3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65277183
2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
N-(2-imidazol-1-ylethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617375
N-(3-imidazol-1-ylpropyl)thiophen-2-amine
CID 91018147
N-(3-imidazol-1-ylpropyl)-5-methylpyridazin-3-amine
CID 106549494
5-bromo-4-N-(3-imidazol-1-ylpropyl)pyridine-3,4-diamine
CID 103517575
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
N-[(4-bromothiophen-2-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61067220
3-imidazol-1-yl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 62119548

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine (CID 64623662) is 5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine is Brc1nnc(NCCCn2ccnc2)s1.
What is the InChIKey of 5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is OULSAGZUCZHGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5S/c9-7-12-13-8(15-7)11-2-1-4-14-5-3-10-6-14/h3,5-6H,1-2,4H2,(H,11,13).
What are the key properties of 5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 288.17 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64623662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).