2-(3,4-dimethoxyphenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

C15H19N3O3S2 — CID 7096096

IUPAC2-(3,4-dimethoxyphenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCSc1nnc(NC(=O)Cc2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C15H19N3O3S2/c1-4-7-22-15-18-17-14(23-15)16-13(19)9-10-5-6-11(20-2)12(8-10)21-3/h5-6,8H,4,7,9H2,1-3H3,(H,16,17,19)
InChIKeyVDAGKMVZWLZQQT-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.24
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 7096096) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID7096096
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCSc1nnc(NC(=O)Cc2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C15H19N3O3S2/c1-4-7-22-15-18-17-14(23-15)16-13(19)9-10-5-6-11(20-2)12(8-10)21-3/h5-6,8H,4,7,9H2,1-3H3,(H,16,17,19)
InChIKeyVDAGKMVZWLZQQT-UHFFFAOYSA-N
XLogP3.24
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (CID 7096096) is 2-(3,4-dimethoxyphenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is CCCSc1nnc(NC(=O)Cc2ccc(OC)c(OC)c2)s1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is VDAGKMVZWLZQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-4-7-22-15-18-17-14(23-15)16-13(19)9-10-5-6-11(20-2)12(8-10)21-3/h5-6,8H,4,7,9H2,1-3H3,(H,16,17,19).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 7096096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).