2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]acetamide

C10H15ClN4OS — CID 51081958

IUPAC2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C10H15ClN4OS/c11-10-8(13-14-17-10)6-15-3-1-7(2-4-15)5-9(12)16/h7H,1-6H2,(H2,12,16)
InChIKeyMLWBBVVDVBHWII-UHFFFAOYSA-N
MW274.78 g/mol
LogP1.28
Rot. Bonds4

About 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]acetamide

2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 51081958) has the molecular formula C10H15ClN4OS and a molecular weight of 274.78 g/mol. Its IUPAC name is 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]acetamide
PubChem CID51081958
Molecular FormulaC10H15ClN4OS
Molecular Weight274.78 g/mol
Exact Mass274.07
IUPAC Name2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C10H15ClN4OS/c11-10-8(13-14-17-10)6-15-3-1-7(2-4-15)5-9(12)16/h7H,1-6H2,(H2,12,16)
InChIKeyMLWBBVVDVBHWII-UHFFFAOYSA-N
XLogP1.28
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37472475
1-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 24580197
1-[(5-Chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide
CID 33736941
N-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide
CID 37209920
1-[(5-Chlorothiadiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 43407864
1-[(5-Chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide
CID 43408269
1-[(5-Chlorothiadiazol-4-yl)methyl]piperidin-2-one
CID 43625594
1-[(5-Chlorothiadiazol-4-yl)methyl]piperidine-2,6-dione
CID 43625604
1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 45797150
[4-[(5-Chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-cyclopropylmethanone
CID 45797175
Azepan-1-yl-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 45799092
[1-[(5-Chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 45801693

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]acetamide (CID 51081958) is 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(Cc2nnsc2Cl)CC1.
What is the InChIKey of 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is MLWBBVVDVBHWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4OS/c11-10-8(13-14-17-10)6-15-3-1-7(2-4-15)5-9(12)16/h7H,1-6H2,(H2,12,16).
What are the key properties of 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]acetamide?
2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 274.78 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 51081958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).