N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide

C13H16N4O3S — CID 82176363

IUPACN-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nnc(C(C)N)s1
InChIInChI=1S/C13H16N4O3S/c1-8(14)12-16-17-13(21-12)15-11(18)7-20-10-6-4-3-5-9(10)19-2/h3-6,8H,7,14H2,1-2H3,(H,15,17,18)
InChIKeyVXGKDNNCHQXUKO-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.58
Rot. Bonds6

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

N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 82176363) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
PubChem CID82176363
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nnc(C(C)N)s1
InChIInChI=1S/C13H16N4O3S/c1-8(14)12-16-17-13(21-12)15-11(18)7-20-10-6-4-3-5-9(10)19-2/h3-6,8H,7,14H2,1-2H3,(H,15,17,18)
InChIKeyVXGKDNNCHQXUKO-UHFFFAOYSA-N
XLogP1.58
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-propan-2-ylphenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19178841
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(2-propoxyphenoxy)acetamide
CID 18093750
2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5202520
2-(2-cyanophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 9247174
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1398449
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 82176337
2-(2-methoxyphenoxy)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 8697651
[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 23794953
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 16548028
N-(2-aminopropyl)-2-(2-methoxyphenoxy)acetamide
CID 82354186
2-(2-propan-2-ylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19178842
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide (CID 82176363) is N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1nnc(C(C)N)s1.
What is the InChIKey of N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is VXGKDNNCHQXUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-8(14)12-16-17-13(21-12)15-11(18)7-20-10-6-4-3-5-9(10)19-2/h3-6,8H,7,14H2,1-2H3,(H,15,17,18).
What are the key properties of N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 308.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 82176363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).