5-(3-ethylpentan-3-yl)-1,2,4-thiadiazol-3-amine

C9H17N3S — CID 19912008

IUPAC5-(3-ethylpentan-3-yl)-1,2,4-thiadiazol-3-amine
SMILESCCC(CC)(CC)c1nc(N)ns1
InChIInChI=1S/C9H17N3S/c1-4-9(5-2,6-3)7-11-8(10)12-13-7/h4-6H2,1-3H3,(H2,10,12)
InChIKeyBLBOMSBZAODJPQ-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.59
Rot. Bonds4

About 5-(3-ethylpentan-3-yl)-1,2,4-thiadiazol-3-amine

5-(3-ethylpentan-3-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 19912008) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-(3-ethylpentan-3-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(3-ethylpentan-3-yl)-1,2,4-thiadiazol-3-amine
PubChem CID19912008
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name5-(3-ethylpentan-3-yl)-1,2,4-thiadiazol-3-amine
SMILESCCC(CC)(CC)c1nc(N)ns1
InChIInChI=1S/C9H17N3S/c1-4-9(5-2,6-3)7-11-8(10)12-13-7/h4-6H2,1-3H3,(H2,10,12)
InChIKeyBLBOMSBZAODJPQ-UHFFFAOYSA-N
XLogP2.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Methylpropyl)-1,2,4-thiadiazol-3-amine
CID 64543255
5-Propyl-1,2,4-thiadiazol-3-amine
CID 12246464
5-Tert-butyl-1,2,4-thiadiazol-3-amine
CID 12246468
5-Tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-1,2,4-thiadiazole
CID 58810144
5-Tert-butyl-3-(2,4-dimethylpentan-2-yl)-1,2,4-thiadiazole
CID 59593327
5-[(2S)-3,3-dimethylpentan-2-yl]-3-methyl-1,2,4-thiadiazole
CID 68256758
5-(2,2-Dimethylbutyl)-3-methyl-1,2,4-thiadiazole
CID 123925142
5-Methyl-3-(2-methylpentan-2-yl)-1,2,4-thiadiazole
CID 126698771
5-(3-Methylheptan-3-yl)-3-(2-methylpentan-2-yl)-1,2,4-thiadiazole
CID 126698830
5-Methyl-3-(2-methylhexan-2-yl)-1,2,4-thiadiazole
CID 130435721
5-(1-Ethylcyclopropyl)-3-methyl-1,2,4-thiadiazole
CID 135170449
3-(1-Ethylcyclopropyl)-5-methyl-1,2,4-thiadiazole
CID 135170710

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpentan-3-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(3-ethylpentan-3-yl)-1,2,4-thiadiazol-3-amine (CID 19912008) is 5-(3-ethylpentan-3-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(3-ethylpentan-3-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(3-ethylpentan-3-yl)-1,2,4-thiadiazol-3-amine is CCC(CC)(CC)c1nc(N)ns1.
What is the InChIKey of 5-(3-ethylpentan-3-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is BLBOMSBZAODJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-4-9(5-2,6-3)7-11-8(10)12-13-7/h4-6H2,1-3H3,(H2,10,12).
What are the key properties of 5-(3-ethylpentan-3-yl)-1,2,4-thiadiazol-3-amine?
5-(3-ethylpentan-3-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 199.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpentan-3-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 19912008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).