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

C10H19N3O2S — CID 65275171

IUPAC1-methoxy-3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCCCc1nsc(N(C)CC(O)COC)n1
InChIInChI=1S/C10H19N3O2S/c1-4-5-9-11-10(16-12-9)13(2)6-8(14)7-15-3/h8,14H,4-7H2,1-3H3
InChIKeyMBPORJRYIAQEEE-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.93
Rot. Bonds7

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

1-methoxy-3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 65275171) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID65275171
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-methoxy-3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCCCc1nsc(N(C)CC(O)COC)n1
InChIInChI=1S/C10H19N3O2S/c1-4-5-9-11-10(16-12-9)13(2)6-8(14)7-15-3/h8,14H,4-7H2,1-3H3
InChIKeyMBPORJRYIAQEEE-UHFFFAOYSA-N
XLogP0.93
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 65275171) is 1-methoxy-3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is CCCc1nsc(N(C)CC(O)COC)n1.
What is the InChIKey of 1-methoxy-3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is MBPORJRYIAQEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-4-5-9-11-10(16-12-9)13(2)6-8(14)7-15-3/h8,14H,4-7H2,1-3H3.
What are the key properties of 1-methoxy-3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
1-methoxy-3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 245.35 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 65275171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).