1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol

C10H14N4O2S — CID 103096276

IUPAC1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCCc1nnsc1-c1nc(C(O)CC)no1
InChIInChI=1S/C10H14N4O2S/c1-3-5-6-8(17-14-12-6)10-11-9(13-16-10)7(15)4-2/h7,15H,3-5H2,1-2H3
InChIKeyMYTIKGNBNNATJV-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.98
Rot. Bonds5

About 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol

1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol (PubChem CID 103096276) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
PubChem CID103096276
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCCc1nnsc1-c1nc(C(O)CC)no1
InChIInChI=1S/C10H14N4O2S/c1-3-5-6-8(17-14-12-6)10-11-9(13-16-10)7(15)4-2/h7,15H,3-5H2,1-2H3
InChIKeyMYTIKGNBNNATJV-UHFFFAOYSA-N
XLogP1.98
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The IUPAC name of 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol (CID 103096276) is 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol is CCCc1nnsc1-c1nc(C(O)CC)no1.
What is the InChIKey of 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The InChIKey is MYTIKGNBNNATJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-3-5-6-8(17-14-12-6)10-11-9(13-16-10)7(15)4-2/h7,15H,3-5H2,1-2H3.
What are the key properties of 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol has a molecular weight of 254.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol is sourced from PubChem (CID 103096276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).