3-(2,3-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C12H11Cl2N3O2S — CID 51117559

IUPAC3-(2,3-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCOc2cccc(Cl)c2Cl)s1
InChIInChI=1S/C12H11Cl2N3O2S/c1-7-16-17-12(20-7)15-10(18)5-6-19-9-4-2-3-8(13)11(9)14/h2-4H,5-6H2,1H3,(H,15,17,18)
InChIKeyKYTBVVHSPABASY-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.56
Rot. Bonds5

About 3-(2,3-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

3-(2,3-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 51117559) has the molecular formula C12H11Cl2N3O2S and a molecular weight of 332.21 g/mol. Its IUPAC name is 3-(2,3-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID51117559
Molecular FormulaC12H11Cl2N3O2S
Molecular Weight332.21 g/mol
Exact Mass330.99
IUPAC Name3-(2,3-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCOc2cccc(Cl)c2Cl)s1
InChIInChI=1S/C12H11Cl2N3O2S/c1-7-16-17-12(20-7)15-10(18)5-6-19-9-4-2-3-8(13)11(9)14/h2-4H,5-6H2,1H3,(H,15,17,18)
InChIKeyKYTBVVHSPABASY-UHFFFAOYSA-N
XLogP3.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 35865418
3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 16551103
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide
CID 17034532
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111471477
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenoxy)propanamide
CID 108802384
2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 42033743
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 31265005
4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8814346
3-(2,4-dimethylphenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 39639959
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26210021
4-(2-methylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 19218704

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(2,3-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 51117559) is 3-(2,3-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2,3-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(2,3-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)CCOc2cccc(Cl)c2Cl)s1.
What is the InChIKey of 3-(2,3-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is KYTBVVHSPABASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S/c1-7-16-17-12(20-7)15-10(18)5-6-19-9-4-2-3-8(13)11(9)14/h2-4H,5-6H2,1H3,(H,15,17,18).
What are the key properties of 3-(2,3-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(2,3-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 332.21 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 51117559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).