5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine

C7H10N4S2 — CID 106433856

IUPAC5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESC#CCSCCNc1nc(N)ns1
InChIInChI=1S/C7H10N4S2/c1-2-4-12-5-3-9-7-10-6(8)11-13-7/h1H,3-5H2,(H3,8,9,10,11)
InChIKeyAYUVVILJVPPMLJ-UHFFFAOYSA-N
MW214.32 g/mol
LogP0.90
Rot. Bonds5

About 5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine

5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 106433856) has the molecular formula C7H10N4S2 and a molecular weight of 214.32 g/mol. Its IUPAC name is 5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID106433856
Molecular FormulaC7H10N4S2
Molecular Weight214.32 g/mol
Exact Mass214.03
IUPAC Name5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESC#CCSCCNc1nc(N)ns1
InChIInChI=1S/C7H10N4S2/c1-2-4-12-5-3-9-7-10-6(8)11-13-7/h1H,3-5H2,(H3,8,9,10,11)
InChIKeyAYUVVILJVPPMLJ-UHFFFAOYSA-N
XLogP0.90
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-prop-2-ynyl-1,2,4-thiadiazole-3,5-diamine
CID 66277910
5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278792
5-N-(3-methylsulfanylpropyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278793
5-N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278794
5-N-but-3-ynyl-1,2,4-thiadiazole-3,5-diamine
CID 66279010
5-N-(thiolan-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 80586991
3-ethylsulfanyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 83380818
5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine
CID 103065145
3-methyl-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazol-5-amine
CID 103703361
N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazol-5-amine
CID 103865913
5-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine
CID 106433855
5-N-(2-methylsulfanylpropyl)-1,2,4-thiadiazole-3,5-diamine
CID 116043853

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine (CID 106433856) is 5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine is C#CCSCCNc1nc(N)ns1.
What is the InChIKey of 5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is AYUVVILJVPPMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S2/c1-2-4-12-5-3-9-7-10-6(8)11-13-7/h1H,3-5H2,(H3,8,9,10,11).
What are the key properties of 5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 214.32 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 106433856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).