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

C9H17N3O2S — CID 65273931

IUPAC1-methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCCCc1nsc(NCC(O)COC)n1
InChIInChI=1S/C9H17N3O2S/c1-3-4-8-11-9(15-12-8)10-5-7(13)6-14-2/h7,13H,3-6H2,1-2H3,(H,10,11,12)
InChIKeyZMWCBAMFMQVTIK-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.91
Rot. Bonds7

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

1-methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 65273931) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID65273931
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1-methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCCCc1nsc(NCC(O)COC)n1
InChIInChI=1S/C9H17N3O2S/c1-3-4-8-11-9(15-12-8)10-5-7(13)6-14-2/h7,13H,3-6H2,1-2H3,(H,10,11,12)
InChIKeyZMWCBAMFMQVTIK-UHFFFAOYSA-N
XLogP0.91
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.91
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-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 65273931) is 1-methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is CCCc1nsc(NCC(O)COC)n1.
What is the InChIKey of 1-methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is ZMWCBAMFMQVTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-3-4-8-11-9(15-12-8)10-5-7(13)6-14-2/h7,13H,3-6H2,1-2H3,(H,10,11,12).
What are the key properties of 1-methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
1-methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 231.32 g/mol, XLogP of 0.91, 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-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 65273931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).