2-(2-chloro-5-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide

C11H10ClN3O2S — CID 2225490

IUPAC2-(2-chloro-5-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)Nc2nncs2)c1
InChIInChI=1S/C11H10ClN3O2S/c1-7-2-3-8(12)9(4-7)17-5-10(16)14-11-15-13-6-18-11/h2-4,6H,5H2,1H3,(H,14,15,16)
InChIKeyDHTKEYRSSRYPSW-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.52
Rot. Bonds4

About 2-(2-chloro-5-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(2-chloro-5-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2225490) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2225490
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)Nc2nncs2)c1
InChIInChI=1S/C11H10ClN3O2S/c1-7-2-3-8(12)9(4-7)17-5-10(16)14-11-15-13-6-18-11/h2-4,6H,5H2,1H3,(H,14,15,16)
InChIKeyDHTKEYRSSRYPSW-UHFFFAOYSA-N
XLogP2.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 2225490) is 2-(2-chloro-5-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide is Cc1ccc(Cl)c(OCC(=O)Nc2nncs2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is DHTKEYRSSRYPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-7-2-3-8(12)9(4-7)17-5-10(16)14-11-15-13-6-18-11/h2-4,6H,5H2,1H3,(H,14,15,16).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(2-chloro-5-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 283.74 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2225490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).