2-(2,4-dichlorophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide

C15H10Cl2N4O2S — CID 4132414

IUPAC2-(2,4-dichlorophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2cccnc2)s1
InChIInChI=1S/C15H10Cl2N4O2S/c16-10-3-4-12(11(17)6-10)23-8-13(22)19-15-21-20-14(24-15)9-2-1-5-18-7-9/h1-7H,8H2,(H,19,21,22)
InChIKeyNDGHKKGMEDQILQ-UHFFFAOYSA-N
MW381.24 g/mol
LogP3.92
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(2,4-dichlorophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 4132414) has the molecular formula C15H10Cl2N4O2S and a molecular weight of 381.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID4132414
Molecular FormulaC15H10Cl2N4O2S
Molecular Weight381.24 g/mol
Exact Mass379.99
IUPAC Name2-(2,4-dichlorophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2cccnc2)s1
InChIInChI=1S/C15H10Cl2N4O2S/c16-10-3-4-12(11(17)6-10)23-8-13(22)19-15-21-20-14(24-15)9-2-1-5-18-7-9/h1-7H,8H2,(H,19,21,22)
InChIKeyNDGHKKGMEDQILQ-UHFFFAOYSA-N
XLogP3.92
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 53.92
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-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 4132414) is 2-(2,4-dichlorophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2cccnc2)s1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is NDGHKKGMEDQILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O2S/c16-10-3-4-12(11(17)6-10)23-8-13(22)19-15-21-20-14(24-15)9-2-1-5-18-7-9/h1-7H,8H2,(H,19,21,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 381.24 g/mol, XLogP of 3.92, 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-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 4132414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).