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

C12H11F2N3O2S — CID 24957546

IUPAC2-(2,4-difluorophenoxy)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(Oc1ccc(F)cc1F)C(=O)Nc1nncs1
InChIInChI=1S/C12H11F2N3O2S/c1-12(2,10(18)16-11-17-15-6-20-11)19-9-4-3-7(13)5-8(9)14/h3-6H,1-2H3,(H,16,17,18)
InChIKeyCDCHAKAQRPKVOR-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.61
Rot. Bonds4

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

2-(2,4-difluorophenoxy)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 24957546) has the molecular formula C12H11F2N3O2S and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID24957546
Molecular FormulaC12H11F2N3O2S
Molecular Weight299.30 g/mol
Exact Mass299.05
IUPAC Name2-(2,4-difluorophenoxy)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(Oc1ccc(F)cc1F)C(=O)Nc1nncs1
InChIInChI=1S/C12H11F2N3O2S/c1-12(2,10(18)16-11-17-15-6-20-11)19-9-4-3-7(13)5-8(9)14/h3-6H,1-2H3,(H,16,17,18)
InChIKeyCDCHAKAQRPKVOR-UHFFFAOYSA-N
XLogP2.61
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2102404
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 2852882
2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2948040
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
CID 3000041
4-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 652428
2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 3155166
2-phenoxy-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 4217877
2-(2-fluorophenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 2045182
2-(2-fluorophenoxy)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2089260
2-(2-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2579785
2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 3151643
4-(4-fluorophenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 25551649

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 24957546) is 2-(2,4-difluorophenoxy)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide is CC(C)(Oc1ccc(F)cc1F)C(=O)Nc1nncs1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is CDCHAKAQRPKVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2S/c1-12(2,10(18)16-11-17-15-6-20-11)19-9-4-3-7(13)5-8(9)14/h3-6H,1-2H3,(H,16,17,18).
What are the key properties of 2-(2,4-difluorophenoxy)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
2-(2,4-difluorophenoxy)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 299.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 24957546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).