N-[2-(5-chloro-1,3,4-thiadiazol-2-yl)ethyl]acetamide

C6H8ClN3OS — CID 83882625

IUPACN-[2-(5-chloro-1,3,4-thiadiazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nnc(Cl)s1
InChIInChI=1S/C6H8ClN3OS/c1-4(11)8-3-2-5-9-10-6(7)12-5/h2-3H2,1H3,(H,8,11)
InChIKeyYOMNWIOBWLDRGV-UHFFFAOYSA-N
MW205.67 g/mol
LogP0.87
Rot. Bonds3

About N-[2-(5-chloro-1,3,4-thiadiazol-2-yl)ethyl]acetamide

N-[2-(5-chloro-1,3,4-thiadiazol-2-yl)ethyl]acetamide (PubChem CID 83882625) has the molecular formula C6H8ClN3OS and a molecular weight of 205.67 g/mol. Its IUPAC name is N-[2-(5-chloro-1,3,4-thiadiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1,3,4-thiadiazol-2-yl)ethyl]acetamide
PubChem CID83882625
Molecular FormulaC6H8ClN3OS
Molecular Weight205.67 g/mol
Exact Mass205.01
IUPAC NameN-[2-(5-chloro-1,3,4-thiadiazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nnc(Cl)s1
InChIInChI=1S/C6H8ClN3OS/c1-4(11)8-3-2-5-9-10-6(7)12-5/h2-3H2,1H3,(H,8,11)
InChIKeyYOMNWIOBWLDRGV-UHFFFAOYSA-N
XLogP0.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-chloro-1,3,4-thiadiazol-2-yl)ethyl]acetamide (CID 83882625) is N-[2-(5-chloro-1,3,4-thiadiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-chloro-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-chloro-1,3,4-thiadiazol-2-yl)ethyl]acetamide is CC(=O)NCCc1nnc(Cl)s1.
What is the InChIKey of N-[2-(5-chloro-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
The InChIKey is YOMNWIOBWLDRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3OS/c1-4(11)8-3-2-5-9-10-6(7)12-5/h2-3H2,1H3,(H,8,11).
What are the key properties of N-[2-(5-chloro-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
N-[2-(5-chloro-1,3,4-thiadiazol-2-yl)ethyl]acetamide has a molecular weight of 205.67 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1,3,4-thiadiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 83882625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).