ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine

C7H15N3S2 — CID 142119097

IUPACethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCC.CCCSc1nnc(N)s1
InChIInChI=1S/C5H9N3S2.C2H6/c1-2-3-9-5-8-7-4(6)10-5;1-2/h2-3H2,1H3,(H2,6,7);1-2H3
InChIKeyFNWOWYJWBOUGQT-UHFFFAOYSA-N
MW205.35 g/mol
LogP2.65
Rot. Bonds3

About ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine

ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 142119097) has the molecular formula C7H15N3S2 and a molecular weight of 205.35 g/mol. Its IUPAC name is ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Nameethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID142119097
Molecular FormulaC7H15N3S2
Molecular Weight205.35 g/mol
Exact Mass205.07
IUPAC Nameethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCC.CCCSc1nnc(N)s1
InChIInChI=1S/C5H9N3S2.C2H6/c1-2-3-9-5-8-7-4(6)10-5;1-2/h2-3H2,1H3,(H2,6,7);1-2H3
InChIKeyFNWOWYJWBOUGQT-UHFFFAOYSA-N
XLogP2.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine (CID 142119097) is ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine is CC.CCCSc1nnc(N)s1.
What is the InChIKey of ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FNWOWYJWBOUGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S2.C2H6/c1-2-3-9-5-8-7-4(6)10-5;1-2/h2-3H2,1H3,(H2,6,7);1-2H3.
What are the key properties of ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 205.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 142119097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).