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

C18H23N3O2S — CID 860551

IUPAC2-cyclohexyl-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1ccc(OCc2nnc(NC(=O)CC3CCCCC3)s2)cc1
InChIInChI=1S/C18H23N3O2S/c1-13-7-9-15(10-8-13)23-12-17-20-21-18(24-17)19-16(22)11-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,19,21,22)
InChIKeyVHYDJRSJYJAGGI-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.33
Rot. Bonds6

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

2-cyclohexyl-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 860551) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID860551
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-cyclohexyl-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1ccc(OCc2nnc(NC(=O)CC3CCCCC3)s2)cc1
InChIInChI=1S/C18H23N3O2S/c1-13-7-9-15(10-8-13)23-12-17-20-21-18(24-17)19-16(22)11-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,19,21,22)
InChIKeyVHYDJRSJYJAGGI-UHFFFAOYSA-N
XLogP4.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 860551) is 2-cyclohexyl-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide is Cc1ccc(OCc2nnc(NC(=O)CC3CCCCC3)s2)cc1.
What is the InChIKey of 2-cyclohexyl-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is VHYDJRSJYJAGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-7-9-15(10-8-13)23-12-17-20-21-18(24-17)19-16(22)11-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,19,21,22).
What are the key properties of 2-cyclohexyl-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-cyclohexyl-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 860551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).