3-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine

C10H17N3O2S — CID 65277181

IUPAC3-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCOCCNc1nc(C2CC2)ns1
InChIInChI=1S/C10H17N3O2S/c1-14-6-7-15-5-4-11-10-12-9(13-16-10)8-2-3-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyNICIJDSYBZTDKF-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.49
Rot. Bonds8

About 3-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65277181) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID65277181
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCOCCNc1nc(C2CC2)ns1
InChIInChI=1S/C10H17N3O2S/c1-14-6-7-15-5-4-11-10-12-9(13-16-10)8-2-3-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyNICIJDSYBZTDKF-UHFFFAOYSA-N
XLogP1.49
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-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
1-Methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 102561715
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-[2-(2,2-difluoroethoxy)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 105912909
3-cyclopropyl-N-(4-fluorooxolan-3-yl)-1,2,4-thiadiazol-5-amine
CID 126856331
3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267473
N-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
CID 65267477
3-(1-ethoxyethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65267528

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine (CID 65277181) is 3-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine is COCCOCCNc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is NICIJDSYBZTDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-14-6-7-15-5-4-11-10-12-9(13-16-10)8-2-3-8/h8H,2-7H2,1H3,(H,11,12,13).
What are the key properties of 3-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 243.33 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).