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

C10H17N3OS — CID 115681060

IUPAC4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butan-2-ol
SMILESCC(O)CCN(C)c1nc(C2CC2)ns1
InChIInChI=1S/C10H17N3OS/c1-7(14)5-6-13(2)10-11-9(12-15-10)8-3-4-8/h7-8,14H,3-6H2,1-2H3
InChIKeyYPINMGICIWRMRI-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.62
Rot. Bonds5

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

4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butan-2-ol (PubChem CID 115681060) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butan-2-ol
PubChem CID115681060
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butan-2-ol
SMILESCC(O)CCN(C)c1nc(C2CC2)ns1
InChIInChI=1S/C10H17N3OS/c1-7(14)5-6-13(2)10-11-9(12-15-10)8-3-4-8/h7-8,14H,3-6H2,1-2H3
InChIKeyYPINMGICIWRMRI-UHFFFAOYSA-N
XLogP1.62
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butan-2-ol?
The IUPAC name of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butan-2-ol (CID 115681060) is 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butan-2-ol?
The canonical SMILES for 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butan-2-ol is CC(O)CCN(C)c1nc(C2CC2)ns1.
What is the InChIKey of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butan-2-ol?
The InChIKey is YPINMGICIWRMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(14)5-6-13(2)10-11-9(12-15-10)8-3-4-8/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butan-2-ol?
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butan-2-ol has a molecular weight of 227.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butan-2-ol is sourced from PubChem (CID 115681060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).