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

C16H15N3O2S2 — CID 4184856

IUPACN-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCc1cccc(OCc2nnc(NC(=O)Cc3cccs3)s2)c1
InChIInChI=1S/C16H15N3O2S2/c1-11-4-2-5-12(8-11)21-10-15-18-19-16(23-15)17-14(20)9-13-6-3-7-22-13/h2-8H,9-10H2,1H3,(H,17,19,20)
InChIKeyZZAVTFAAQUFHCP-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.67
Rot. Bonds6

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

N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 4184856) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID4184856
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCc1cccc(OCc2nnc(NC(=O)Cc3cccs3)s2)c1
InChIInChI=1S/C16H15N3O2S2/c1-11-4-2-5-12(8-11)21-10-15-18-19-16(23-15)17-14(20)9-13-6-3-7-22-13/h2-8H,9-10H2,1H3,(H,17,19,20)
InChIKeyZZAVTFAAQUFHCP-UHFFFAOYSA-N
XLogP3.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (CID 4184856) is N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is Cc1cccc(OCc2nnc(NC(=O)Cc3cccs3)s2)c1.
What is the InChIKey of N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is ZZAVTFAAQUFHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-11-4-2-5-12(8-11)21-10-15-18-19-16(23-15)17-14(20)9-13-6-3-7-22-13/h2-8H,9-10H2,1H3,(H,17,19,20).
What are the key properties of N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 345.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 4184856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).