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

C5H9N3S — CID 12999910

IUPACN-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(C)s1
InChIInChI=1S/C5H9N3S/c1-3-6-5-8-7-4(2)9-5/h3H2,1-2H3,(H,6,8)
InChIKeyUDPALUGGJSBVNW-UHFFFAOYSA-N
MW143.22 g/mol
LogP1.28
Rot. Bonds2

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

N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 12999910) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID12999910
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC NameN-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(C)s1
InChIInChI=1S/C5H9N3S/c1-3-6-5-8-7-4(2)9-5/h3H2,1-2H3,(H,6,8)
InChIKeyUDPALUGGJSBVNW-UHFFFAOYSA-N
XLogP1.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine (CID 12999910) is N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(C)s1.
What is the InChIKey of N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is UDPALUGGJSBVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-3-6-5-8-7-4(2)9-5/h3H2,1-2H3,(H,6,8).
What are the key properties of N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine?
N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 143.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 12999910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).