N-cyclopropyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine

C11H15N3OS — CID 65268374

IUPACN-cyclopropyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESC1CC1Nc1nc(C2CC3CCC2O3)ns1
InChIInChI=1S/C11H15N3OS/c1-2-6(1)12-11-13-10(14-16-11)8-5-7-3-4-9(8)15-7/h6-9H,1-5H2,(H,12,13,14)
InChIKeyPBGRTTQIOHQXBC-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.15
Rot. Bonds3

About N-cyclopropyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine

N-cyclopropyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268374) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-cyclopropyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65268374
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-cyclopropyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESC1CC1Nc1nc(C2CC3CCC2O3)ns1
InChIInChI=1S/C11H15N3OS/c1-2-6(1)12-11-13-10(14-16-11)8-5-7-3-4-9(8)15-7/h6-9H,1-5H2,(H,12,13,14)
InChIKeyPBGRTTQIOHQXBC-UHFFFAOYSA-N
XLogP2.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65268374) is N-cyclopropyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine is C1CC1Nc1nc(C2CC3CCC2O3)ns1.
What is the InChIKey of N-cyclopropyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is PBGRTTQIOHQXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-6(1)12-11-13-10(14-16-11)8-5-7-3-4-9(8)15-7/h6-9H,1-5H2,(H,12,13,14).
What are the key properties of N-cyclopropyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 237.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).