2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C14H15F2N3O2S — CID 34110542

IUPAC2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)Cc2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C14H15F2N3O2S/c1-2-3-12-18-19-14(22-12)17-11(20)8-9-4-6-10(7-5-9)21-13(15)16/h4-7,13H,2-3,8H2,1H3,(H,17,19,20)
InChIKeyIXPLICHFYLIDDF-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.27
Rot. Bonds7

About 2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 34110542) has the molecular formula C14H15F2N3O2S and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID34110542
Molecular FormulaC14H15F2N3O2S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)Cc2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C14H15F2N3O2S/c1-2-3-12-18-19-14(22-12)17-11(20)8-9-4-6-10(7-5-9)21-13(15)16/h4-7,13H,2-3,8H2,1H3,(H,17,19,20)
InChIKeyIXPLICHFYLIDDF-UHFFFAOYSA-N
XLogP3.27
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109400
2-(4-ethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26209657
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 18198073
2-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)acetamide
CID 33234261
4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 134704246
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 35540738
3-(4-propan-2-ylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 19221551
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 9109738
2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34107644
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 26197141
2-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1077863

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 34110542) is 2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)Cc2ccc(OC(F)F)cc2)s1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is IXPLICHFYLIDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2S/c1-2-3-12-18-19-14(22-12)17-11(20)8-9-4-6-10(7-5-9)21-13(15)16/h4-7,13H,2-3,8H2,1H3,(H,17,19,20).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 327.36 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 34110542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).