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

C7H13N3S — CID 58113301

IUPACN,N-diethyl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCN(CC)c1nnc(C)s1
InChIInChI=1S/C7H13N3S/c1-4-10(5-2)7-9-8-6(3)11-7/h4-5H2,1-3H3
InChIKeyXTSWYYOEFSXRGF-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.69
Rot. Bonds3

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

N,N-diethyl-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 58113301) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N,N-diethyl-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID58113301
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN,N-diethyl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCN(CC)c1nnc(C)s1
InChIInChI=1S/C7H13N3S/c1-4-10(5-2)7-9-8-6(3)11-7/h4-5H2,1-3H3
InChIKeyXTSWYYOEFSXRGF-UHFFFAOYSA-N
XLogP1.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-diethyl-5-methyl-1,3,4-thiadiazol-2-amine (CID 58113301) is N,N-diethyl-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-methyl-1,3,4-thiadiazol-2-amine is CCN(CC)c1nnc(C)s1.
What is the InChIKey of N,N-diethyl-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is XTSWYYOEFSXRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-4-10(5-2)7-9-8-6(3)11-7/h4-5H2,1-3H3.
What are the key properties of N,N-diethyl-5-methyl-1,3,4-thiadiazol-2-amine?
N,N-diethyl-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 171.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 58113301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).