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

C15H13N3O2S2 — CID 2201274

IUPACN-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCOc1cccc(-c2nnc(NC(=O)Cc3cccs3)s2)c1
InChIInChI=1S/C15H13N3O2S2/c1-20-11-5-2-4-10(8-11)14-17-18-15(22-14)16-13(19)9-12-6-3-7-21-12/h2-8H,9H2,1H3,(H,16,18,19)
InChIKeyCUFXVZRSQSYLPT-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.46
Rot. Bonds5

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

N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 2201274) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID2201274
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCOc1cccc(-c2nnc(NC(=O)Cc3cccs3)s2)c1
InChIInChI=1S/C15H13N3O2S2/c1-20-11-5-2-4-10(8-11)14-17-18-15(22-14)16-13(19)9-12-6-3-7-21-12/h2-8H,9H2,1H3,(H,16,18,19)
InChIKeyCUFXVZRSQSYLPT-UHFFFAOYSA-N
XLogP3.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 747323
3,4-dimethoxy-N-[5-(thien-2-ylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1272394
N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-thiophen-2-yl-acetamide
CID 646403
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 648470
2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1451530
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 2201266
3-ethoxy-N-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 878458
N-[(2Z)-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]thiophene-2-carboxamide
CID 921617
3-Methoxy-N-(5-thiophen-2-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 1451529
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 1548617
N-[5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methylphenyl)thio]acetamide
CID 2199177
4-Methoxy-N-(5-thiophen-2-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 3212603

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (CID 2201274) is N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is COc1cccc(-c2nnc(NC(=O)Cc3cccs3)s2)c1.
What is the InChIKey of N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is CUFXVZRSQSYLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-20-11-5-2-4-10(8-11)14-17-18-15(22-14)16-13(19)9-12-6-3-7-21-12/h2-8H,9H2,1H3,(H,16,18,19).
What are the key properties of N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 331.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2201274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).