5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

C6H9N3S2 — CID 83380562

IUPAC5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(SC)s1
InChIInChI=1S/C6H9N3S2/c1-3-4-7-5-8-9-6(10-2)11-5/h3H,1,4H2,2H3,(H,7,8)
InChIKeyODIJVJOEFZCXMJ-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.86
Rot. Bonds4

About 5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine (PubChem CID 83380562) has the molecular formula C6H9N3S2 and a molecular weight of 187.29 g/mol. Its IUPAC name is 5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
PubChem CID83380562
Molecular FormulaC6H9N3S2
Molecular Weight187.29 g/mol
Exact Mass187.02
IUPAC Name5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(SC)s1
InChIInChI=1S/C6H9N3S2/c1-3-4-7-5-8-9-6(10-2)11-5/h3H,1,4H2,2H3,(H,7,8)
InChIKeyODIJVJOEFZCXMJ-UHFFFAOYSA-N
XLogP1.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7797762
5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 554185
5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 18165695
[4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]methanol
CID 110005154
N-prop-2-enyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazol-2-amine
CID 133382783
1-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol
CID 47395810
4-methyl-1-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol
CID 111476213
1-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 35357650
1-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
CID 47117509
5-(2-phenoxyethylsulfanyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 7797226
N-prop-2-enyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 36586419
2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 42897337

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine (CID 83380562) is 5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine is C=CCNc1nnc(SC)s1.
What is the InChIKey of 5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ODIJVJOEFZCXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S2/c1-3-4-7-5-8-9-6(10-2)11-5/h3H,1,4H2,2H3,(H,7,8).
What are the key properties of 5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine has a molecular weight of 187.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 83380562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).