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

C9H12FN3OS — CID 126856331

IUPAC3-cyclopropyl-N-(4-fluorooxolan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESFC1COCC1Nc1nc(C2CC2)ns1
InChIInChI=1S/C9H12FN3OS/c10-6-3-14-4-7(6)11-9-12-8(13-15-9)5-1-2-5/h5-7H,1-4H2,(H,11,12,13)
InChIKeyDIKHTMKNVMIGJU-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.56
Rot. Bonds3

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

3-cyclopropyl-N-(4-fluorooxolan-3-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 126856331) has the molecular formula C9H12FN3OS and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-cyclopropyl-N-(4-fluorooxolan-3-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(4-fluorooxolan-3-yl)-1,2,4-thiadiazol-5-amine
PubChem CID126856331
Molecular FormulaC9H12FN3OS
Molecular Weight229.28 g/mol
Exact Mass229.07
IUPAC Name3-cyclopropyl-N-(4-fluorooxolan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESFC1COCC1Nc1nc(C2CC2)ns1
InChIInChI=1S/C9H12FN3OS/c10-6-3-14-4-7(6)11-9-12-8(13-15-9)5-1-2-5/h5-7H,1-4H2,(H,11,12,13)
InChIKeyDIKHTMKNVMIGJU-UHFFFAOYSA-N
XLogP1.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-N-(4-fluorooxolan-3-yl)-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 72112104
3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273982
3-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274036
3-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274037
N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103081427
3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103081675
N-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103151220
N-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103151221
N-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476990
N-[2-(cyclopropylmethoxy)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105681868
N-(1-ethoxy-3-methylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105807866
N-[2-(2,2-difluoroethoxy)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 105912909

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(4-fluorooxolan-3-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(4-fluorooxolan-3-yl)-1,2,4-thiadiazol-5-amine (CID 126856331) is 3-cyclopropyl-N-(4-fluorooxolan-3-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(4-fluorooxolan-3-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(4-fluorooxolan-3-yl)-1,2,4-thiadiazol-5-amine is FC1COCC1Nc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-(4-fluorooxolan-3-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is DIKHTMKNVMIGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3OS/c10-6-3-14-4-7(6)11-9-12-8(13-15-9)5-1-2-5/h5-7H,1-4H2,(H,11,12,13).
What are the key properties of 3-cyclopropyl-N-(4-fluorooxolan-3-yl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(4-fluorooxolan-3-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 229.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(4-fluorooxolan-3-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126856331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).