N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyethoxy)-2-pyridinyl]acetamide

C18H24N4O3S — CID 135234064

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyethoxy)-2-pyridinyl]acetamide
SMILESCOCCOc1ccnc(CC(=O)Nc2nnc(C3CCCCC3)s2)c1
InChIInChI=1S/C18H24N4O3S/c1-24-9-10-25-15-7-8-19-14(11-15)12-16(23)20-18-22-21-17(26-18)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,20,22,23)
InChIKeyDLBYXPUWWSDRIN-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.19
Rot. Bonds8

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyethoxy)-2-pyridinyl]acetamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyethoxy)-2-pyridinyl]acetamide (PubChem CID 135234064) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyethoxy)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyethoxy)-2-pyridinyl]acetamide
PubChem CID135234064
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyethoxy)-2-pyridinyl]acetamide
SMILESCOCCOc1ccnc(CC(=O)Nc2nnc(C3CCCCC3)s2)c1
InChIInChI=1S/C18H24N4O3S/c1-24-9-10-25-15-7-8-19-14(11-15)12-16(23)20-18-22-21-17(26-18)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,20,22,23)
InChIKeyDLBYXPUWWSDRIN-UHFFFAOYSA-N
XLogP3.19
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-[3-[5-[[2-[4-(2-methoxyethoxy)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-methyl-oxoazanium
CID 123424052
2-(4-methoxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[2-(4-methoxy-2-pyridinyl)ethylamino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 118444097
2-(5-hydroxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-[5-(2-methoxyethoxy)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 135234046
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylacetamide
CID 135234210
2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163298
2-[5-(aminomethyl)-2-pyridinyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
CID 138481133
N-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
CID 118444063
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide
CID 135234164
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 16572065
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 803244
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 52899109
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide
CID 139460837

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyethoxy)-2-pyridinyl]acetamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyethoxy)-2-pyridinyl]acetamide (CID 135234064) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyethoxy)-2-pyridinyl]acetamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyethoxy)-2-pyridinyl]acetamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyethoxy)-2-pyridinyl]acetamide is COCCOc1ccnc(CC(=O)Nc2nnc(C3CCCCC3)s2)c1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyethoxy)-2-pyridinyl]acetamide?
The InChIKey is DLBYXPUWWSDRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-24-9-10-25-15-7-8-19-14(11-15)12-16(23)20-18-22-21-17(26-18)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,20,22,23).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyethoxy)-2-pyridinyl]acetamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyethoxy)-2-pyridinyl]acetamide has a molecular weight of 376.48 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyethoxy)-2-pyridinyl]acetamide is sourced from PubChem (CID 135234064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).