N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-4-yloxyacetamide

C13H22N4O2S — CID 106261018

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-4-yloxyacetamide
SMILESCC(C)Cc1nnc(NC(=O)COC2CCNCC2)s1
InChIInChI=1S/C13H22N4O2S/c1-9(2)7-12-16-17-13(20-12)15-11(18)8-19-10-3-5-14-6-4-10/h9-10,14H,3-8H2,1-2H3,(H,15,17,18)
InChIKeyKAYQUCDTAIHFND-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.44
Rot. Bonds6

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-4-yloxyacetamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-4-yloxyacetamide (PubChem CID 106261018) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-4-yloxyacetamide
PubChem CID106261018
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-4-yloxyacetamide
SMILESCC(C)Cc1nnc(NC(=O)COC2CCNCC2)s1
InChIInChI=1S/C13H22N4O2S/c1-9(2)7-12-16-17-13(20-12)15-11(18)8-19-10-3-5-14-6-4-10/h9-10,14H,3-8H2,1-2H3,(H,15,17,18)
InChIKeyKAYQUCDTAIHFND-UHFFFAOYSA-N
XLogP1.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-Morpholin-4-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-isobutyramide
CID 1398561
2-methyl-N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 2068758
N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 7352947
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(dimethylamino)ethoxy]acetamide
CID 10039646
2-[2-(diethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 10380942
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(diethylamino)ethoxy]acetamide
CID 10448373
2-[2-(dimethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 11778768
n-(5-Isobutyl-1,3,4-thiadiazol-2-yl)-2-isopropoxyacetamide
CID 19258312
5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine
CID 65208215
3-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 82176629
2-methoxy-N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 82176631
N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 82176636

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-4-yloxyacetamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-4-yloxyacetamide (CID 106261018) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-4-yloxyacetamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-4-yloxyacetamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-4-yloxyacetamide is CC(C)Cc1nnc(NC(=O)COC2CCNCC2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-4-yloxyacetamide?
The InChIKey is KAYQUCDTAIHFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-9(2)7-12-16-17-13(20-12)15-11(18)8-19-10-3-5-14-6-4-10/h9-10,14H,3-8H2,1-2H3,(H,15,17,18).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-4-yloxyacetamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-4-yloxyacetamide has a molecular weight of 298.41 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-4-yloxyacetamide is sourced from PubChem (CID 106261018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).