2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide

C18H17N3O2S — CID 3999252

IUPAC2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C18H17N3O2S/c1-23-15-10-6-5-9-14(15)17(22)19-18-21-20-16(24-18)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,21,22)
InChIKeyOFLMUTPZXAIVLN-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.58
Rot. Bonds6

About 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide

2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 3999252) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID3999252
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C18H17N3O2S/c1-23-15-10-6-5-9-14(15)17(22)19-18-21-20-16(24-18)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,21,22)
InChIKeyOFLMUTPZXAIVLN-UHFFFAOYSA-N
XLogP3.58
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 3999252) is 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide is COc1ccccc1C(=O)Nc1nnc(CCc2ccccc2)s1.
What is the InChIKey of 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is OFLMUTPZXAIVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-15-10-6-5-9-14(15)17(22)19-18-21-20-16(24-18)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,21,22).
What are the key properties of 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 339.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 3999252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).