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

C14H14ClN3O2S — CID 2667815

IUPAC2-(4-chloro-3-methylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2nnc(C3CC3)s2)ccc1Cl
InChIInChI=1S/C14H14ClN3O2S/c1-8-6-10(4-5-11(8)15)20-7-12(19)16-14-18-17-13(21-14)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,16,18,19)
InChIKeyXLJILSUNBJZVEG-UHFFFAOYSA-N
MW323.81 g/mol
LogP3.39
Rot. Bonds5

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

2-(4-chloro-3-methylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2667815) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2667815
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2nnc(C3CC3)s2)ccc1Cl
InChIInChI=1S/C14H14ClN3O2S/c1-8-6-10(4-5-11(8)15)20-7-12(19)16-14-18-17-13(21-14)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,16,18,19)
InChIKeyXLJILSUNBJZVEG-UHFFFAOYSA-N
XLogP3.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 878471
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 3876898
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1382193
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 3913948
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 2669923
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 4858653
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 842071
4-(4-chloro-3-methylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide
CID 2669846
2-(2-bromo-4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4330233
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 4800328
N-[5-(4-Chloro-phenoxymethyl)-[1,3,4]thiadiazol-2-yl]-2-ethoxy-acetamide
CID 648876
N-[5-(4-Chloro-phenoxymethyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-acetamide
CID 1086918

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2667815) is 2-(4-chloro-3-methylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1cc(OCC(=O)Nc2nnc(C3CC3)s2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XLJILSUNBJZVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-8-6-10(4-5-11(8)15)20-7-12(19)16-14-18-17-13(21-14)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,16,18,19).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 323.81 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2667815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).