1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol

C12H20N4O2S — CID 133383166

IUPAC1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CNc1nc(C2CC2)ns1)CN1CCOCC1
InChIInChI=1S/C12H20N4O2S/c17-10(8-16-3-5-18-6-4-16)7-13-12-14-11(15-19-12)9-1-2-9/h9-10,17H,1-8H2,(H,13,14,15)
InChIKeyGGYVUYGDBDOBQD-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.52
Rot. Bonds6

About 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol

1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 133383166) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID133383166
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CNc1nc(C2CC2)ns1)CN1CCOCC1
InChIInChI=1S/C12H20N4O2S/c17-10(8-16-3-5-18-6-4-16)7-13-12-14-11(15-19-12)9-1-2-9/h9-10,17H,1-8H2,(H,13,14,15)
InChIKeyGGYVUYGDBDOBQD-UHFFFAOYSA-N
XLogP0.52
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol (CID 133383166) is 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol is OC(CNc1nc(C2CC2)ns1)CN1CCOCC1.
What is the InChIKey of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is GGYVUYGDBDOBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c17-10(8-16-3-5-18-6-4-16)7-13-12-14-11(15-19-12)9-1-2-9/h9-10,17H,1-8H2,(H,13,14,15).
What are the key properties of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol?
1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 284.39 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 133383166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).