1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol

C10H17N3O2S — CID 65275225

IUPAC1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1nc(C2CC2)ns1
InChIInChI=1S/C10H17N3O2S/c1-13(5-8(14)6-15-2)10-11-9(12-16-10)7-3-4-7/h7-8,14H,3-6H2,1-2H3
InChIKeyWRZHYHFDAUYIDU-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.86
Rot. Bonds6

About 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol

1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 65275225) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
PubChem CID65275225
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1nc(C2CC2)ns1
InChIInChI=1S/C10H17N3O2S/c1-13(5-8(14)6-15-2)10-11-9(12-16-10)7-3-4-7/h7-8,14H,3-6H2,1-2H3
InChIKeyWRZHYHFDAUYIDU-UHFFFAOYSA-N
XLogP0.86
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol (CID 65275225) is 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1nc(C2CC2)ns1.
What is the InChIKey of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is WRZHYHFDAUYIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-13(5-8(14)6-15-2)10-11-9(12-16-10)7-3-4-7/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol?
1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 243.33 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 65275225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).