2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

C14H15F2N3O2S — CID 31902407

IUPAC2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)COc2ccc(F)cc2F)s1
InChIInChI=1S/C14H15F2N3O2S/c1-8(2)5-13-18-19-14(22-13)17-12(20)7-21-11-4-3-9(15)6-10(11)16/h3-4,6,8H,5,7H2,1-2H3,(H,17,19,20)
InChIKeyRIFAVIPVEQQKQZ-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.03
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 31902407) has the molecular formula C14H15F2N3O2S and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID31902407
Molecular FormulaC14H15F2N3O2S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Name2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)COc2ccc(F)cc2F)s1
InChIInChI=1S/C14H15F2N3O2S/c1-8(2)5-13-18-19-14(22-13)17-12(20)7-21-11-4-3-9(15)6-10(11)16/h3-4,6,8H,5,7H2,1-2H3,(H,17,19,20)
InChIKeyRIFAVIPVEQQKQZ-UHFFFAOYSA-N
XLogP3.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 16548028
2-(2,4-difluorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 47024285
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16548053
4-fluoro-2-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103829678
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide
CID 8750173
2-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 8750095
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 50745874
ethyl 2-[5-[[2-(2-fluorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
CID 3721973
2-(2-methoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3388491
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
3-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 103601483
5-fluoro-2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 106262222

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 31902407) is 2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(C)Cc1nnc(NC(=O)COc2ccc(F)cc2F)s1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is RIFAVIPVEQQKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2S/c1-8(2)5-13-18-19-14(22-13)17-12(20)7-21-11-4-3-9(15)6-10(11)16/h3-4,6,8H,5,7H2,1-2H3,(H,17,19,20).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 327.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 31902407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).