N-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine

C11H18N4S — CID 66213937

IUPACN-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCN(c1nc(C2CC2)ns1)C1CNC1
InChIInChI=1S/C11H18N4S/c1-2-5-15(9-6-12-7-9)11-13-10(14-16-11)8-3-4-8/h8-9,12H,2-7H2,1H3
InChIKeyFHMDZGWKGVEDOM-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.60
Rot. Bonds5

About N-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine

N-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 66213937) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID66213937
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC NameN-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCN(c1nc(C2CC2)ns1)C1CNC1
InChIInChI=1S/C11H18N4S/c1-2-5-15(9-6-12-7-9)11-13-10(14-16-11)8-3-4-8/h8-9,12H,2-7H2,1H3
InChIKeyFHMDZGWKGVEDOM-UHFFFAOYSA-N
XLogP1.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.60
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)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine (CID 66213937) is N-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine is CCCN(c1nc(C2CC2)ns1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is FHMDZGWKGVEDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-2-5-15(9-6-12-7-9)11-13-10(14-16-11)8-3-4-8/h8-9,12H,2-7H2,1H3.
What are the key properties of N-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine?
N-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 238.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 66213937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).