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

C16H15N3O2S2 — CID 7336987

IUPACN-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCOc1ccccc1Cc1nnc(NC(=O)Cc2cccs2)s1
InChIInChI=1S/C16H15N3O2S2/c1-21-13-7-3-2-5-11(13)9-15-18-19-16(23-15)17-14(20)10-12-6-4-8-22-12/h2-8H,9-10H2,1H3,(H,17,19,20)
InChIKeyVFKIOGQKZXAIKI-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.38
Rot. Bonds6

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

N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 7336987) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID7336987
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCOc1ccccc1Cc1nnc(NC(=O)Cc2cccs2)s1
InChIInChI=1S/C16H15N3O2S2/c1-21-13-7-3-2-5-11(13)9-15-18-19-16(23-15)17-14(20)10-12-6-4-8-22-12/h2-8H,9-10H2,1H3,(H,17,19,20)
InChIKeyVFKIOGQKZXAIKI-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-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide;N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 145342908
2-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17320259
1-[(2-methoxyphenyl)methyl]-5-oxo-N-[5-(thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 91955904
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 51593290
4-fluoro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319861
2-(2-methoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3388491
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 847029
4-bromo-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319539
2-fluoro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319851
2,6-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17320202
4-(2,4-dichlorophenoxy)-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 17319755
1-(2,2-dimethylpropanoyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 17224509

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (CID 7336987) is N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is COc1ccccc1Cc1nnc(NC(=O)Cc2cccs2)s1.
What is the InChIKey of N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is VFKIOGQKZXAIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-21-13-7-3-2-5-11(13)9-15-18-19-16(23-15)17-14(20)10-12-6-4-8-22-12/h2-8H,9-10H2,1H3,(H,17,19,20).
What are the key properties of N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[5-[(2-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-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 7336987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).