3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine

C10H15N3S — CID 115681041

IUPAC3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine
SMILESC#CCC(CC)Nc1nc(CC)ns1
InChIInChI=1S/C10H15N3S/c1-4-7-8(5-2)11-10-12-9(6-3)13-14-10/h1,8H,5-7H2,2-3H3,(H,11,12,13)
InChIKeyJUPLVVNYEYHRDL-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.31
Rot. Bonds5

About 3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine

3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine (PubChem CID 115681041) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine
PubChem CID115681041
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine
SMILESC#CCC(CC)Nc1nc(CC)ns1
InChIInChI=1S/C10H15N3S/c1-4-7-8(5-2)11-10-12-9(6-3)13-14-10/h1,8H,5-7H2,2-3H3,(H,11,12,13)
InChIKeyJUPLVVNYEYHRDL-UHFFFAOYSA-N
XLogP2.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine
CID 115681040
2,3,5,6-tetrafluoro-N-hex-5-yn-3-ylpyridin-4-amine
CID 103749935
3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65276551
1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65276801
N-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 115681108
3-chloro-N-pentan-3-yl-1,2,4-thiadiazol-5-amine
CID 130709058
2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine
CID 65277594
ethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 133430418
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile
CID 131134565
N-ethyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 65276938
2-N-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 66879071
3-N-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]pentane-1,3-diamine
CID 66879276

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine (CID 115681041) is 3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine is C#CCC(CC)Nc1nc(CC)ns1.
What is the InChIKey of 3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is JUPLVVNYEYHRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-4-7-8(5-2)11-10-12-9(6-3)13-14-10/h1,8H,5-7H2,2-3H3,(H,11,12,13).
What are the key properties of 3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine?
3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 209.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 115681041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).