N-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane

C11H19BrN4OS — CID 153404964

IUPACN-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane
SMILESCC.CC(=O)NC1CCN(c2nnc(Br)s2)CC1
InChIInChI=1S/C9H13BrN4OS.C2H6/c1-6(15)11-7-2-4-14(5-3-7)9-13-12-8(10)16-9;1-2/h7H,2-5H2,1H3,(H,11,15);1-2H3
InChIKeyYIFYYHHGNJXXPO-UHFFFAOYSA-N
MW335.27 g/mol
LogP2.43
Rot. Bonds2

About N-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane

N-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane (PubChem CID 153404964) has the molecular formula C11H19BrN4OS and a molecular weight of 335.27 g/mol. Its IUPAC name is N-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane.

Molecular Properties

Compound NameN-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane
PubChem CID153404964
Molecular FormulaC11H19BrN4OS
Molecular Weight335.27 g/mol
Exact Mass334.05
IUPAC NameN-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane
SMILESCC.CC(=O)NC1CCN(c2nnc(Br)s2)CC1
InChIInChI=1S/C9H13BrN4OS.C2H6/c1-6(15)11-7-2-4-14(5-3-7)9-13-12-8(10)16-9;1-2/h7H,2-5H2,1H3,(H,11,15);1-2H3
InChIKeyYIFYYHHGNJXXPO-UHFFFAOYSA-N
XLogP2.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane?
The IUPAC name of N-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane (CID 153404964) is N-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane.
What is the SMILES notation for N-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane?
The canonical SMILES for N-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane is CC.CC(=O)NC1CCN(c2nnc(Br)s2)CC1.
What is the InChIKey of N-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane?
The InChIKey is YIFYYHHGNJXXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4OS.C2H6/c1-6(15)11-7-2-4-14(5-3-7)9-13-12-8(10)16-9;1-2/h7H,2-5H2,1H3,(H,11,15);1-2H3.
What are the key properties of N-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane?
N-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane has a molecular weight of 335.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane is sourced from PubChem (CID 153404964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).