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

C16H15N3O2S2 — CID 648470

IUPACN-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-21-12-6-4-11(5-7-12)9-15-18-19-16(23-15)17-14(20)10-13-3-2-8-22-13/h2-8H,9-10H2,1H3,(H,17,19,20)
InChIKeyLRYSABRRNBKPQA-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.38
Rot. Bonds6

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

N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 648470) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID648470
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-21-12-6-4-11(5-7-12)9-15-18-19-16(23-15)17-14(20)10-13-3-2-8-22-13/h2-8H,9-10H2,1H3,(H,17,19,20)
InChIKeyLRYSABRRNBKPQA-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1405517
N-{5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}pentanamide
CID 5925639
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide
CID 1077868
3,4-dimethoxy-N-[5-(thien-2-ylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1272394
N-[5-[(E)-2-(4-methoxyphenyl)vinyl]-1,3,4-thiadiazol-2-yl]-2-(p-tolylthio)acetamide
CID 5931256
N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-thiophen-2-yl-acetamide
CID 646403
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 2201266
2-(2-methoxyphenyl)-N-[5-[4-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982534
2-(4-methoxyphenyl)-N-[5-[4-[5-[[2-(4-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 89639619
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[5-(4-methoxy-benzyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 648241
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-thienyl)acetamide
CID 838732
N-{5-[(4-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-thiophenecarboxamide
CID 878432

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (CID 648470) is N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is LRYSABRRNBKPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-21-12-6-4-11(5-7-12)9-15-18-19-16(23-15)17-14(20)10-13-3-2-8-22-13/h2-8H,9-10H2,1H3,(H,17,19,20).
What are the key properties of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 345.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 648470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).