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

C11H15N3S — CID 115681040

IUPAC3-cyclopropyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine
SMILESC#CCC(CC)Nc1nc(C2CC2)ns1
InChIInChI=1S/C11H15N3S/c1-3-5-9(4-2)12-11-13-10(14-15-11)8-6-7-8/h1,8-9H,4-7H2,2H3,(H,12,13,14)
InChIKeyZVZZNACQSJVPHZ-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.63
Rot. Bonds5

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

3-cyclopropyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine (PubChem CID 115681040) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 3-cyclopropyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine
PubChem CID115681040
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name3-cyclopropyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine
SMILESC#CCC(CC)Nc1nc(C2CC2)ns1
InChIInChI=1S/C11H15N3S/c1-3-5-9(4-2)12-11-13-10(14-15-11)8-6-7-8/h1,8-9H,4-7H2,2H3,(H,12,13,14)
InChIKeyZVZZNACQSJVPHZ-UHFFFAOYSA-N
XLogP2.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.63
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-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine
CID 115681041
2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine
CID 80704893
3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65274507
3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65271665
3-cyclobutyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268424
(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
CID 79245937
3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65423064
N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268446
1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65276177
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide
CID 113408656
3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103943106
(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid
CID 122062834

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine (CID 115681040) is 3-cyclopropyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine is C#CCC(CC)Nc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZVZZNACQSJVPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-5-9(4-2)12-11-13-10(14-15-11)8-6-7-8/h1,8-9H,4-7H2,2H3,(H,12,13,14).
What are the key properties of 3-cyclopropyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 221.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 115681040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).