3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine

C11H17N5S — CID 65277183

IUPAC3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCCCn2ccnc2)n1
InChIInChI=1S/C11H17N5S/c1-2-10-14-11(17-15-10)13-5-3-4-7-16-8-6-12-9-16/h6,8-9H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyVEKKIKHXMGYEAJ-UHFFFAOYSA-N
MW251.36 g/mol
LogP2.19
Rot. Bonds7

About 3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine

3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65277183) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine
PubChem CID65277183
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCCCn2ccnc2)n1
InChIInChI=1S/C11H17N5S/c1-2-10-14-11(17-15-10)13-5-3-4-7-16-8-6-12-9-16/h6,8-9H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyVEKKIKHXMGYEAJ-UHFFFAOYSA-N
XLogP2.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 52.19
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-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 106845066
5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine
CID 64623662
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65272512
5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360334
4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine
CID 55124703
4-ethylsulfonyl-5-N-(4-imidazol-1-ylbutyl)-1,2-thiazole-3,5-diamine
CID 103360335
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-nonylimidazole;hydrobromide
CID 175434544
3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine
CID 65271707
N-(3-imidazol-1-ylpropyl)-1-methylimidazol-2-amine
CID 62132911
N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine
CID 65416898
5-N-(3-imidazol-1-ylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382750

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine (CID 65277183) is 3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine is CCc1nsc(NCCCCn2ccnc2)n1.
What is the InChIKey of 3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VEKKIKHXMGYEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-2-10-14-11(17-15-10)13-5-3-4-7-16-8-6-12-9-16/h6,8-9H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of 3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 251.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).