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

C7H12N4S2 — CID 106433855

IUPAC5-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESC=CCSCCNc1nc(N)ns1
InChIInChI=1S/C7H12N4S2/c1-2-4-12-5-3-9-7-10-6(8)11-13-7/h2H,1,3-5H2,(H3,8,9,10,11)
InChIKeyLCWDRTYPBIMYJE-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.45
Rot. Bonds6

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

5-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 106433855) has the molecular formula C7H12N4S2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID106433855
Molecular FormulaC7H12N4S2
Molecular Weight216.33 g/mol
Exact Mass216.05
IUPAC Name5-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESC=CCSCCNc1nc(N)ns1
InChIInChI=1S/C7H12N4S2/c1-2-4-12-5-3-9-7-10-6(8)11-13-7/h2H,1,3-5H2,(H3,8,9,10,11)
InChIKeyLCWDRTYPBIMYJE-UHFFFAOYSA-N
XLogP1.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-5-allylamino-1,2,4-thiadiazole
CID 1713608
3-N,5-N-bis(prop-2-enyl)-1,2,4-thiadiazole-3,5-diamine
CID 70152561
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
3-methyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine
CID 103702792
N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazol-5-amine
CID 103865861
5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine
CID 106433856
5-N-but-3-enyl-1,2,4-thiadiazole-3,5-diamine
CID 116038203
5-N-(2-methylsulfanylpropyl)-1,2,4-thiadiazole-3,5-diamine
CID 116043853
5-N-(1,4-dithian-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 116220921
5-N-(1-ethylsulfanylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 116293194

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine (CID 106433855) is 5-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine is C=CCSCCNc1nc(N)ns1.
What is the InChIKey of 5-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is LCWDRTYPBIMYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S2/c1-2-4-12-5-3-9-7-10-6(8)11-13-7/h2H,1,3-5H2,(H3,8,9,10,11).
What are the key properties of 5-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(2-prop-2-enylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 216.33 g/mol, XLogP of 1.45, 6 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-enylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 106433855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).