N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide

C17H21N3O2S — CID 2932483

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C17H21N3O2S/c1-12(22-14-10-6-3-7-11-14)15(21)18-17-20-19-16(23-17)13-8-4-2-5-9-13/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,20,21)
InChIKeyTXBIHLHLFZOQIC-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.99
Rot. Bonds5

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide (PubChem CID 2932483) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide
PubChem CID2932483
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C17H21N3O2S/c1-12(22-14-10-6-3-7-11-14)15(21)18-17-20-19-16(23-17)13-8-4-2-5-9-13/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,20,21)
InChIKeyTXBIHLHLFZOQIC-UHFFFAOYSA-N
XLogP3.99
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1405517
2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 729595
N-(5-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929487
2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2669942
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 3876898
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4385887
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 929485
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-m-tolyloxy-acetamide
CID 6172639
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-p-tolyloxy-acetamide
CID 6230690
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-phenoxybutanamide
CID 3148068
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 976078
4-(4-Methoxy-phenoxy)-N-[5-(tetrahydro-furan-2-yl)-[1,3,4]thiadiazol-2-yl]-butyramide
CID 645252

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide (CID 2932483) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide?
The InChIKey is TXBIHLHLFZOQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12(22-14-10-6-3-7-11-14)15(21)18-17-20-19-16(23-17)13-8-4-2-5-9-13/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,20,21).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide has a molecular weight of 331.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide is sourced from PubChem (CID 2932483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).