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

C17H21N3O2S — CID 769175

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1
InChIInChI=1S/C17H21N3O2S/c1-2-22-14-10-8-12(9-11-14)15(21)18-17-20-19-16(23-17)13-6-4-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,18,20,21)
InChIKeyOEYUYRKGTPKVLG-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.24
Rot. Bonds5

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

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide (PubChem CID 769175) 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)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide
PubChem CID769175
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1
InChIInChI=1S/C17H21N3O2S/c1-2-22-14-10-8-12(9-11-14)15(21)18-17-20-19-16(23-17)13-6-4-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,18,20,21)
InChIKeyOEYUYRKGTPKVLG-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide (CID 769175) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide?
The InChIKey is OEYUYRKGTPKVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-2-22-14-10-8-12(9-11-14)15(21)18-17-20-19-16(23-17)13-6-4-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,18,20,21).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide has a molecular weight of 331.44 g/mol, XLogP of 4.24, 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)-4-ethoxybenzamide is sourced from PubChem (CID 769175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).