(5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

C10H16N4O2S — CID 107394925

IUPAC(5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2nnc(N)s2)C1
InChIInChI=1S/C10H16N4O2S/c1-10(16-2)4-3-5-14(6-10)8(15)7-12-13-9(11)17-7/h3-6H2,1-2H3,(H2,11,13)
InChIKeyIYMQDWGSZYSQTR-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.76
Rot. Bonds2

About (5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

(5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107394925) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is (5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
PubChem CID107394925
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name(5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2nnc(N)s2)C1
InChIInChI=1S/C10H16N4O2S/c1-10(16-2)4-3-5-14(6-10)8(15)7-12-13-9(11)17-7/h3-6H2,1-2H3,(H2,11,13)
InChIKeyIYMQDWGSZYSQTR-UHFFFAOYSA-N
XLogP0.76
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (CID 107394925) is (5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is COC1(C)CCCN(C(=O)c2nnc(N)s2)C1.
What is the InChIKey of (5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is IYMQDWGSZYSQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-10(16-2)4-3-5-14(6-10)8(15)7-12-13-9(11)17-7/h3-6H2,1-2H3,(H2,11,13).
What are the key properties of (5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
(5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 256.33 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107394925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).