2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide

C10H13ClN4O2S — CID 80625458

IUPAC2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)c2nnc(Cl)s2)CC1
InChIInChI=1S/C10H13ClN4O2S/c11-10-14-13-8(18-10)9(17)15-3-1-6(2-4-15)5-7(12)16/h6H,1-5H2,(H2,12,16)
InChIKeyXLYROFRBNOSCGA-UHFFFAOYSA-N
MW288.76 g/mol
LogP0.92
Rot. Bonds3

About 2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide

2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 80625458) has the molecular formula C10H13ClN4O2S and a molecular weight of 288.76 g/mol. Its IUPAC name is 2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID80625458
Molecular FormulaC10H13ClN4O2S
Molecular Weight288.76 g/mol
Exact Mass288.04
IUPAC Name2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)c2nnc(Cl)s2)CC1
InChIInChI=1S/C10H13ClN4O2S/c11-10-14-13-8(18-10)9(17)15-3-1-6(2-4-15)5-7(12)16/h6H,1-5H2,(H2,12,16)
InChIKeyXLYROFRBNOSCGA-UHFFFAOYSA-N
XLogP0.92
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide
CID 80625054
(5-chloro-1,3,4-thiadiazol-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 80625869
(5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 80625752
(5-chloro-1,3,4-thiadiazol-2-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 80619318
(5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957023
5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 60978074
(5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 80618666
(5-chloro-1,3,4-thiadiazol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 80625077
(5-amino-1,3,4-thiadiazol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 80615672
(5-chloro-1,3,4-thiadiazol-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 80624872
(5-chloro-1,3,4-thiadiazol-2-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 80617850
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 47290627

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide (CID 80625458) is 2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(C(=O)c2nnc(Cl)s2)CC1.
What is the InChIKey of 2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is XLYROFRBNOSCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2S/c11-10-14-13-8(18-10)9(17)15-3-1-6(2-4-15)5-7(12)16/h6H,1-5H2,(H2,12,16).
What are the key properties of 2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide?
2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 288.76 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 80625458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).