1-methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol

C10H19N3O2S — CID 102561715

IUPAC1-methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
SMILESCOCC(O)CNc1nc(CC(C)C)ns1
InChIInChI=1S/C10H19N3O2S/c1-7(2)4-9-12-10(16-13-9)11-5-8(14)6-15-3/h7-8,14H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyJETGRGCZENLVDS-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.16
Rot. Bonds7

About 1-methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol

1-methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol (PubChem CID 102561715) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
PubChem CID102561715
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
SMILESCOCC(O)CNc1nc(CC(C)C)ns1
InChIInChI=1S/C10H19N3O2S/c1-7(2)4-9-12-10(16-13-9)11-5-8(14)6-15-3/h7-8,14H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyJETGRGCZENLVDS-UHFFFAOYSA-N
XLogP1.16
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol (CID 102561715) is 1-methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol is COCC(O)CNc1nc(CC(C)C)ns1.
What is the InChIKey of 1-methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
The InChIKey is JETGRGCZENLVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-7(2)4-9-12-10(16-13-9)11-5-8(14)6-15-3/h7-8,14H,4-6H2,1-3H3,(H,11,12,13).
What are the key properties of 1-methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
1-methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol has a molecular weight of 245.35 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol is sourced from PubChem (CID 102561715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).