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

C17H15N3O2S — CID 71946201

IUPACN-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCOc2ccccc2)s1)c1ccccc1
InChIInChI=1S/C17H15N3O2S/c21-16(13-7-3-1-4-8-13)18-17-20-19-15(23-17)11-12-22-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,20,21)
InChIKeyXXMCFZRHKOPLOO-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.41
Rot. Bonds6

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

N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 71946201) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID71946201
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCOc2ccccc2)s1)c1ccccc1
InChIInChI=1S/C17H15N3O2S/c21-16(13-7-3-1-4-8-13)18-17-20-19-15(23-17)11-12-22-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,20,21)
InChIKeyXXMCFZRHKOPLOO-UHFFFAOYSA-N
XLogP3.41
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319563
3-methyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319770
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide
CID 54787314
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
3-(5-benzamido-1,3,4-thiadiazol-2-yl)propanoic acid
CID 82058157
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
3,4,5-trimethoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17320419
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 51054729
2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320789
4-methoxy-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3732616
N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 17320541
N-[5-[2-(4-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 71946087

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 71946201) is N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(CCOc2ccccc2)s1)c1ccccc1.
What is the InChIKey of N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is XXMCFZRHKOPLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-16(13-7-3-1-4-8-13)18-17-20-19-15(23-17)11-12-22-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,20,21).
What are the key properties of N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide?
N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 325.39 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 71946201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).