N-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine

C8H14N4S — CID 66183911

IUPACN-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCN(c1nnc(C)s1)C1CNC1
InChIInChI=1S/C8H14N4S/c1-3-12(7-4-9-5-7)8-11-10-6(2)13-8/h7,9H,3-5H2,1-2H3
InChIKeyDUMOBBWWHQIUHD-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.64
Rot. Bonds3

About N-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine

N-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 66183911) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID66183911
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC NameN-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCN(c1nnc(C)s1)C1CNC1
InChIInChI=1S/C8H14N4S/c1-3-12(7-4-9-5-7)8-11-10-6(2)13-8/h7,9H,3-5H2,1-2H3
InChIKeyDUMOBBWWHQIUHD-UHFFFAOYSA-N
XLogP0.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine (CID 66183911) is N-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine is CCN(c1nnc(C)s1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DUMOBBWWHQIUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-3-12(7-4-9-5-7)8-11-10-6(2)13-8/h7,9H,3-5H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine?
N-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 198.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 66183911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).