N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazol-5-amine

C7H9N3S2 — CID 103865913

IUPACN-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazol-5-amine
SMILESC#CCSCCNc1ncns1
InChIInChI=1S/C7H9N3S2/c1-2-4-11-5-3-8-7-9-6-10-12-7/h1,6H,3-5H2,(H,8,9,10)
InChIKeyLEOUYHCIXXBWDW-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.32
Rot. Bonds5

About N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazol-5-amine

N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103865913) has the molecular formula C7H9N3S2 and a molecular weight of 199.30 g/mol. Its IUPAC name is N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID103865913
Molecular FormulaC7H9N3S2
Molecular Weight199.30 g/mol
Exact Mass199.02
IUPAC NameN-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazol-5-amine
SMILESC#CCSCCNc1ncns1
InChIInChI=1S/C7H9N3S2/c1-2-4-11-5-3-8-7-9-6-10-12-7/h1,6H,3-5H2,(H,8,9,10)
InChIKeyLEOUYHCIXXBWDW-UHFFFAOYSA-N
XLogP1.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 102809301
1-Methyl-3-[3-(1,2,4-thiadiazol-3-ylsulfanyl)propyl]thiourea
CID 20557789
N-(3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine
CID 65273706
N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine
CID 65273816
N-but-3-ynyl-1,2,4-thiadiazol-5-amine
CID 65274219
N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine
CID 65274565
N-prop-2-ynyl-1,2,4-thiadiazol-5-amine
CID 65276690
N-[2-(1,2,4-thiadiazol-5-ylsulfanyl)ethyl]prop-2-yn-1-amine
CID 80430920
N-(thiolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 80586546
N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine
CID 103865861
N-(thiolan-3-yl)-1,2,4-thiadiazol-5-amine
CID 103865931
N-pent-4-ynyl-1,2,4-thiadiazol-5-amine
CID 103865932

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazol-5-amine (CID 103865913) is N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazol-5-amine is C#CCSCCNc1ncns1.
What is the InChIKey of N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is LEOUYHCIXXBWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S2/c1-2-4-11-5-3-8-7-9-6-10-12-7/h1,6H,3-5H2,(H,8,9,10).
What are the key properties of N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 199.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103865913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).