N,N,5-trimethyl-1,3,4-thiadiazol-2-amine

C5H9N3S — CID 3047402

IUPACN,N,5-trimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)C)s1
InChIInChI=1S/C5H9N3S/c1-4-6-7-5(9-4)8(2)3/h1-3H3
InChIKeyBLWGGGOOIMHFRY-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.91
Rot. Bonds1

About N,N,5-trimethyl-1,3,4-thiadiazol-2-amine

N,N,5-trimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 3047402) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is N,N,5-trimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-1,3,4-thiadiazol-2-amine
PubChem CID3047402
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC NameN,N,5-trimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)C)s1
InChIInChI=1S/C5H9N3S/c1-4-6-7-5(9-4)8(2)3/h1-3H3
InChIKeyBLWGGGOOIMHFRY-UHFFFAOYSA-N
XLogP0.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N,5-trimethyl-1,3,4-thiadiazol-2-amine (CID 3047402) is N,N,5-trimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N,5-trimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N,5-trimethyl-1,3,4-thiadiazol-2-amine is Cc1nnc(N(C)C)s1.
What is the InChIKey of N,N,5-trimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BLWGGGOOIMHFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-4-6-7-5(9-4)8(2)3/h1-3H3.
What are the key properties of N,N,5-trimethyl-1,3,4-thiadiazol-2-amine?
N,N,5-trimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 143.21 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3047402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).