N-cyclopropyl-3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine

C12H19N3OS — CID 86794328

IUPACN-cyclopropyl-3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(CC2CCOC2)C2CC2)n1
InChIInChI=1S/C12H19N3OS/c1-2-11-13-12(17-14-11)15(10-3-4-10)7-9-5-6-16-8-9/h9-10H,2-8H2,1H3
InChIKeyDXGANMRBZBWCLF-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.11
Rot. Bonds5

About N-cyclopropyl-3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine

N-cyclopropyl-3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 86794328) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-cyclopropyl-3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID86794328
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-cyclopropyl-3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(CC2CCOC2)C2CC2)n1
InChIInChI=1S/C12H19N3OS/c1-2-11-13-12(17-14-11)15(10-3-4-10)7-9-5-6-16-8-9/h9-10H,2-8H2,1H3
InChIKeyDXGANMRBZBWCLF-UHFFFAOYSA-N
XLogP2.11
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 86794328) is N-cyclopropyl-3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine is CCc1nsc(N(CC2CCOC2)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is DXGANMRBZBWCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-11-13-12(17-14-11)15(10-3-4-10)7-9-5-6-16-8-9/h9-10H,2-8H2,1H3.
What are the key properties of N-cyclopropyl-3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 253.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 86794328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).