N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

C17H15N3O2S — CID 805078

IUPACN-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nnc(COc2ccccc2)s1
InChIInChI=1S/C17H15N3O2S/c21-15(11-13-7-3-1-4-8-13)18-17-20-19-16(23-17)12-22-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,20,21)
InChIKeyBFPANJLQEXOAAY-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.30
Rot. Bonds6

About N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (PubChem CID 805078) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
PubChem CID805078
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nnc(COc2ccccc2)s1
InChIInChI=1S/C17H15N3O2S/c21-15(11-13-7-3-1-4-8-13)18-17-20-19-16(23-17)12-22-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,20,21)
InChIKeyBFPANJLQEXOAAY-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 872730
2-(4-phenylmethoxyphenyl)-N-[5-[4-[5-[[2-(4-phenylmethoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90183269
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3968281
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
2-phenyl-N-[5-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982401
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 51054729
2-(4-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17319688
1-(4-methylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea
CID 811272
N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 17320541
2-methylpropyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 811180
(E)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide;hydrochloride
CID 175653157
2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9109892

Frequently Asked Questions

What is the IUPAC name of N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (CID 805078) is N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1nnc(COc2ccccc2)s1.
What is the InChIKey of N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The InChIKey is BFPANJLQEXOAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-15(11-13-7-3-1-4-8-13)18-17-20-19-16(23-17)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-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide has a molecular weight of 325.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 805078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).