2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide

C18H23N3O2S — CID 3748819

IUPAC2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide
SMILESCOc1ccc(-c2nnc(N(C)C(=O)CC3CCCCC3)s2)cc1
InChIInChI=1S/C18H23N3O2S/c1-21(16(22)12-13-6-4-3-5-7-13)18-20-19-17(24-18)14-8-10-15(23-2)11-9-14/h8-11,13H,3-7,12H2,1-2H3
InChIKeyHCDRKQWAKUVLIN-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.15
Rot. Bonds5

About 2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide

2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide (PubChem CID 3748819) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide
PubChem CID3748819
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide
SMILESCOc1ccc(-c2nnc(N(C)C(=O)CC3CCCCC3)s2)cc1
InChIInChI=1S/C18H23N3O2S/c1-21(16(22)12-13-6-4-3-5-7-13)18-20-19-17(24-18)14-8-10-15(23-2)11-9-14/h8-11,13H,3-7,12H2,1-2H3
InChIKeyHCDRKQWAKUVLIN-UHFFFAOYSA-N
XLogP4.15
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide?
The IUPAC name of 2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide (CID 3748819) is 2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide?
The canonical SMILES for 2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide is COc1ccc(-c2nnc(N(C)C(=O)CC3CCCCC3)s2)cc1.
What is the InChIKey of 2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide?
The InChIKey is HCDRKQWAKUVLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-21(16(22)12-13-6-4-3-5-7-13)18-20-19-17(24-18)14-8-10-15(23-2)11-9-14/h8-11,13H,3-7,12H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide?
2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide has a molecular weight of 345.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 3748819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).