2-(2,4-dichlorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

C14H9Cl2N3O3S — CID 1103118

IUPAC2-(2,4-dichlorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C14H9Cl2N3O3S/c15-8-3-4-10(9(16)6-8)22-7-12(20)17-14-19-18-13(23-14)11-2-1-5-21-11/h1-6H,7H2,(H,17,19,20)
InChIKeyJKLOXDURTHEVLU-UHFFFAOYSA-N
MW370.22 g/mol
LogP4.12
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

2-(2,4-dichlorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 1103118) has the molecular formula C14H9Cl2N3O3S and a molecular weight of 370.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID1103118
Molecular FormulaC14H9Cl2N3O3S
Molecular Weight370.22 g/mol
Exact Mass368.97
IUPAC Name2-(2,4-dichlorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C14H9Cl2N3O3S/c15-8-3-4-10(9(16)6-8)22-7-12(20)17-14-19-18-13(23-14)11-2-1-5-21-11/h1-6H,7H2,(H,17,19,20)
InChIKeyJKLOXDURTHEVLU-UHFFFAOYSA-N
XLogP4.12
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 1103118) is 2-(2,4-dichlorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccco2)s1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is JKLOXDURTHEVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O3S/c15-8-3-4-10(9(16)6-8)22-7-12(20)17-14-19-18-13(23-14)11-2-1-5-21-11/h1-6H,7H2,(H,17,19,20).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 370.22 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 1103118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).