3-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,2,4-thiadiazol-5-amine

C14H16N4S — CID 105357803

IUPAC3-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1cc2c(cc1CNc1nc(C3CC3)ns1)CNC2
InChIInChI=1S/C14H16N4S/c1-2-11-7-15-8-12(11)5-9(1)6-16-14-17-13(18-19-14)10-3-4-10/h1-2,5,10,15H,3-4,6-8H2,(H,16,17,18)
InChIKeyBOROMLKCWJGSRK-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.63
Rot. Bonds4

About 3-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 105357803) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID105357803
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name3-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1cc2c(cc1CNc1nc(C3CC3)ns1)CNC2
InChIInChI=1S/C14H16N4S/c1-2-11-7-15-8-12(11)5-9(1)6-16-14-17-13(18-19-14)10-3-4-10/h1-2,5,10,15H,3-4,6-8H2,(H,16,17,18)
InChIKeyBOROMLKCWJGSRK-UHFFFAOYSA-N
XLogP2.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 105357803) is 3-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,2,4-thiadiazol-5-amine is c1cc2c(cc1CNc1nc(C3CC3)ns1)CNC2.
What is the InChIKey of 3-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BOROMLKCWJGSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-2-11-7-15-8-12(11)5-9(1)6-16-14-17-13(18-19-14)10-3-4-10/h1-2,5,10,15H,3-4,6-8H2,(H,16,17,18).
What are the key properties of 3-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 272.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 105357803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).