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

C10H19N3S — CID 65271707

IUPAC3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCCC(C)C)n1
InChIInChI=1S/C10H19N3S/c1-4-9-12-10(14-13-9)11-7-5-6-8(2)3/h8H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyLLVASDZMONVQSF-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.95
Rot. Bonds6

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

3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271707) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271707
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCCC(C)C)n1
InChIInChI=1S/C10H19N3S/c1-4-9-12-10(14-13-9)11-7-5-6-8(2)3/h8H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyLLVASDZMONVQSF-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65272512
N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 106845066
3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine
CID 107816082
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
5-bromo-N-(4-methylpentyl)-1,3,4-thiadiazol-2-amine
CID 64623077
N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65273869
N-(4-chloropentyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 106124940
1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65276801
5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
CID 107269261
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile
CID 131134565
2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80935431
N-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65277932

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine (CID 65271707) is 3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine is CCc1nsc(NCCCC(C)C)n1.
What is the InChIKey of 3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is LLVASDZMONVQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-9-12-10(14-13-9)11-7-5-6-8(2)3/h8H,4-7H2,1-3H3,(H,11,12,13).
What are the key properties of 3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 213.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).