N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide

C16H15N3O3S — CID 2999504

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)Nc3nnc(C4CC4)s3)coc2c1
InChIInChI=1S/C16H15N3O3S/c1-21-11-4-5-12-10(8-22-13(12)7-11)6-14(20)17-16-19-18-15(23-16)9-2-3-9/h4-5,7-9H,2-3,6H2,1H3,(H,17,19,20)
InChIKeyWRMYVPVFGPTNHX-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.35
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 2999504) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID2999504
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)Nc3nnc(C4CC4)s3)coc2c1
InChIInChI=1S/C16H15N3O3S/c1-21-11-4-5-12-10(8-22-13(12)7-11)6-14(20)17-16-19-18-15(23-16)9-2-3-9/h4-5,7-9H,2-3,6H2,1H3,(H,17,19,20)
InChIKeyWRMYVPVFGPTNHX-UHFFFAOYSA-N
XLogP3.35
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 2999504) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide is COc1ccc2c(CC(=O)Nc3nnc(C4CC4)s3)coc2c1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is WRMYVPVFGPTNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-21-11-4-5-12-10(8-22-13(12)7-11)6-14(20)17-16-19-18-15(23-16)9-2-3-9/h4-5,7-9H,2-3,6H2,1H3,(H,17,19,20).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 329.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 2999504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).