5-[4-(dimethylamino)piperidin-1-yl]-1,2,4-thiadiazol-3-amine

C9H17N5S — CID 66277935

IUPAC5-[4-(dimethylamino)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
SMILESCN(C)C1CCN(c2nc(N)ns2)CC1
InChIInChI=1S/C9H17N5S/c1-13(2)7-3-5-14(6-4-7)9-11-8(10)12-15-9/h7H,3-6H2,1-2H3,(H2,10,12)
InChIKeyBJJGMPJNIJWINQ-UHFFFAOYSA-N
MW227.34 g/mol
LogP0.65
Rot. Bonds2

About 5-[4-(dimethylamino)piperidin-1-yl]-1,2,4-thiadiazol-3-amine

5-[4-(dimethylamino)piperidin-1-yl]-1,2,4-thiadiazol-3-amine (PubChem CID 66277935) has the molecular formula C9H17N5S and a molecular weight of 227.34 g/mol. Its IUPAC name is 5-[4-(dimethylamino)piperidin-1-yl]-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-[4-(dimethylamino)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
PubChem CID66277935
Molecular FormulaC9H17N5S
Molecular Weight227.34 g/mol
Exact Mass227.12
IUPAC Name5-[4-(dimethylamino)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
SMILESCN(C)C1CCN(c2nc(N)ns2)CC1
InChIInChI=1S/C9H17N5S/c1-13(2)7-3-5-14(6-4-7)9-11-8(10)12-15-9/h7H,3-6H2,1-2H3,(H2,10,12)
InChIKeyBJJGMPJNIJWINQ-UHFFFAOYSA-N
XLogP0.65
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)piperidin-1-yl]-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-[4-(dimethylamino)piperidin-1-yl]-1,2,4-thiadiazol-3-amine (CID 66277935) is 5-[4-(dimethylamino)piperidin-1-yl]-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-[4-(dimethylamino)piperidin-1-yl]-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-[4-(dimethylamino)piperidin-1-yl]-1,2,4-thiadiazol-3-amine is CN(C)C1CCN(c2nc(N)ns2)CC1.
What is the InChIKey of 5-[4-(dimethylamino)piperidin-1-yl]-1,2,4-thiadiazol-3-amine?
The InChIKey is BJJGMPJNIJWINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5S/c1-13(2)7-3-5-14(6-4-7)9-11-8(10)12-15-9/h7H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of 5-[4-(dimethylamino)piperidin-1-yl]-1,2,4-thiadiazol-3-amine?
5-[4-(dimethylamino)piperidin-1-yl]-1,2,4-thiadiazol-3-amine has a molecular weight of 227.34 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)piperidin-1-yl]-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 66277935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).