2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

C16H16ClN3O2S — CID 18860954

IUPAC2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)Cc2coc3ccc(Cl)cc23)s1
InChIInChI=1S/C16H16ClN3O2S/c1-9(2)5-15-19-20-16(23-15)18-14(21)6-10-8-22-13-4-3-11(17)7-12(10)13/h3-4,7-9H,5-6H2,1-2H3,(H,18,20,21)
InChIKeyLDMKWNIVAKICDU-UHFFFAOYSA-N
MW349.84 g/mol
LogP4.32
Rot. Bonds5

About 2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 18860954) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID18860954
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)Cc2coc3ccc(Cl)cc23)s1
InChIInChI=1S/C16H16ClN3O2S/c1-9(2)5-15-19-20-16(23-15)18-14(21)6-10-8-22-13-4-3-11(17)7-12(10)13/h3-4,7-9H,5-6H2,1-2H3,(H,18,20,21)
InChIKeyLDMKWNIVAKICDU-UHFFFAOYSA-N
XLogP4.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 18860954) is 2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(C)Cc1nnc(NC(=O)Cc2coc3ccc(Cl)cc23)s1.
What is the InChIKey of 2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is LDMKWNIVAKICDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c1-9(2)5-15-19-20-16(23-15)18-14(21)6-10-8-22-13-4-3-11(17)7-12(10)13/h3-4,7-9H,5-6H2,1-2H3,(H,18,20,21).
What are the key properties of 2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 349.84 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 18860954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).