N-ethyl-5-methylsulfanyl-1,3,4-thiadiazol-2-amine

C5H9N3S2 — CID 12890396

IUPACN-ethyl-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SC)s1
InChIInChI=1S/C5H9N3S2/c1-3-6-4-7-8-5(9-2)10-4/h3H2,1-2H3,(H,6,7)
InChIKeyZHLVQUKBVINHHW-UHFFFAOYSA-N
MW175.28 g/mol
LogP1.69
Rot. Bonds3

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

N-ethyl-5-methylsulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 12890396) has the molecular formula C5H9N3S2 and a molecular weight of 175.28 g/mol. Its IUPAC name is N-ethyl-5-methylsulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID12890396
Molecular FormulaC5H9N3S2
Molecular Weight175.28 g/mol
Exact Mass175.02
IUPAC NameN-ethyl-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SC)s1
InChIInChI=1S/C5H9N3S2/c1-3-6-4-7-8-5(9-2)10-4/h3H2,1-2H3,(H,6,7)
InChIKeyZHLVQUKBVINHHW-UHFFFAOYSA-N
XLogP1.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methylsulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-methylsulfanyl-1,3,4-thiadiazol-2-amine (CID 12890396) is N-ethyl-5-methylsulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-methylsulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-methylsulfanyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(SC)s1.
What is the InChIKey of N-ethyl-5-methylsulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZHLVQUKBVINHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S2/c1-3-6-4-7-8-5(9-2)10-4/h3H2,1-2H3,(H,6,7).
What are the key properties of N-ethyl-5-methylsulfanyl-1,3,4-thiadiazol-2-amine?
N-ethyl-5-methylsulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 175.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methylsulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 12890396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).