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

C15H19N3O3S — CID 3151959

IUPAC2-(3,4-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nnc(C(C)C)s2)cc1OC
InChIInChI=1S/C15H19N3O3S/c1-9(2)14-17-18-15(22-14)16-13(19)8-10-5-6-11(20-3)12(7-10)21-4/h5-7,9H,8H2,1-4H3,(H,16,18,19)
InChIKeyGQNDAPKZHCWQFN-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.86
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3151959) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3151959
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nnc(C(C)C)s2)cc1OC
InChIInChI=1S/C15H19N3O3S/c1-9(2)14-17-18-15(22-14)16-13(19)8-10-5-6-11(20-3)12(7-10)21-4/h5-7,9H,8H2,1-4H3,(H,16,18,19)
InChIKeyGQNDAPKZHCWQFN-UHFFFAOYSA-N
XLogP2.86
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 3151959) is 2-(3,4-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is COc1ccc(CC(=O)Nc2nnc(C(C)C)s2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is GQNDAPKZHCWQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-9(2)14-17-18-15(22-14)16-13(19)8-10-5-6-11(20-3)12(7-10)21-4/h5-7,9H,8H2,1-4H3,(H,16,18,19).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 321.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3151959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).