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

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Related Compounds

1-Morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 84591120
3-methyl-N-(4-morpholin-4-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 132380131
1-[5-(3-Morpholin-4-ylpropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4713658
3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 65267858
[4-(3-Propyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine
CID 65270347
[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine
CID 65270348
[4-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine
CID 65270398
[4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine
CID 65270399
[4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanamine
CID 65270401
3-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 65270979
3-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271014
N-(2-morpholin-4-ylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65271030

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).