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

C17H21N3O3S — CID 8750173

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2nnc(CC(C)C)s2)cc1
InChIInChI=1S/C17H21N3O3S/c1-4-14(21)12-5-7-13(8-6-12)23-10-15(22)18-17-20-19-16(24-17)9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,18,20,22)
InChIKeyKNKNVSXYBYEQBL-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.35
Rot. Bonds8

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

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 8750173) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide
PubChem CID8750173
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2nnc(CC(C)C)s2)cc1
InChIInChI=1S/C17H21N3O3S/c1-4-14(21)12-5-7-13(8-6-12)23-10-15(22)18-17-20-19-16(24-17)9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,18,20,22)
InChIKeyKNKNVSXYBYEQBL-UHFFFAOYSA-N
XLogP3.35
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
2-(4-propanoylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 38782533
N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-[4-[2-[[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]phenoxy]acetamide
CID 11734868
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 16548028
methyl 2-[[2-(4-propanoylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18101572
2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 31902407
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 7919939
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 733423
4-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
CID 71914400
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 26068513
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51142621
2-[4-(4-methylphenyl)phenoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19170983

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide (CID 8750173) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)Nc2nnc(CC(C)C)s2)cc1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is KNKNVSXYBYEQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-4-14(21)12-5-7-13(8-6-12)23-10-15(22)18-17-20-19-16(24-17)9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,18,20,22).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 347.44 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 8750173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).