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

C12H19N3OS — CID 65267699

IUPACN-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(C2CC3CCC2O3)ns1
InChIInChI=1S/C12H19N3OS/c1-7(2)6-13-12-14-11(15-17-12)9-5-8-3-4-10(9)16-8/h7-10H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyCRBLPWAGABGPAD-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.64
Rot. Bonds4

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

N-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267699) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65267699
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(C2CC3CCC2O3)ns1
InChIInChI=1S/C12H19N3OS/c1-7(2)6-13-12-14-11(15-17-12)9-5-8-3-4-10(9)16-8/h7-10H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyCRBLPWAGABGPAD-UHFFFAOYSA-N
XLogP2.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65267699) is N-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine is CC(C)CNc1nc(C2CC3CCC2O3)ns1.
What is the InChIKey of N-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CRBLPWAGABGPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-7(2)6-13-12-14-11(15-17-12)9-5-8-3-4-10(9)16-8/h7-10H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of N-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine?
N-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 253.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).