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

C13H16N4O2S — CID 82176337

IUPACN-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nnc(C(C)N)s2)cc1
InChIInChI=1S/C13H16N4O2S/c1-8(14)12-16-17-13(20-12)15-11(18)7-9-3-5-10(19-2)6-4-9/h3-6,8H,7,14H2,1-2H3,(H,15,17,18)
InChIKeyZHEIBVFFFYHBBP-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.75
Rot. Bonds5

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

N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 82176337) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID82176337
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nnc(C(C)N)s2)cc1
InChIInChI=1S/C13H16N4O2S/c1-8(14)12-16-17-13(20-12)15-11(18)7-9-3-5-10(19-2)6-4-9/h3-6,8H,7,14H2,1-2H3,(H,15,17,18)
InChIKeyZHEIBVFFFYHBBP-UHFFFAOYSA-N
XLogP1.75
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 64556459
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 35540738
2-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 690614
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 82176363
2-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1077863
2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 5082553
2-(4-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17319688
[2-(4-methoxyphenyl)-2-oxoethyl] 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate
CID 71912007
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 64545259
2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 78804292
N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 22170781

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide (CID 82176337) is N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2nnc(C(C)N)s2)cc1.
What is the InChIKey of N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is ZHEIBVFFFYHBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8(14)12-16-17-13(20-12)15-11(18)7-9-3-5-10(19-2)6-4-9/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-(4-methoxyphenyl)acetamide?
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 292.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 82176337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).