2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(2-hydroxyphenyl)propyl]acetamide

C13H16N4O2S2 — CID 46991045

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(2-hydroxyphenyl)propyl]acetamide
SMILESNc1nnc(SCC(=O)NCCCc2ccccc2O)s1
InChIInChI=1S/C13H16N4O2S2/c14-12-16-17-13(21-12)20-8-11(19)15-7-3-5-9-4-1-2-6-10(9)18/h1-2,4,6,18H,3,5,7-8H2,(H2,14,16)(H,15,19)
InChIKeyDWUNTWNXAFAIMO-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.67
Rot. Bonds7

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(2-hydroxyphenyl)propyl]acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(2-hydroxyphenyl)propyl]acetamide (PubChem CID 46991045) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(2-hydroxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(2-hydroxyphenyl)propyl]acetamide
PubChem CID46991045
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(2-hydroxyphenyl)propyl]acetamide
SMILESNc1nnc(SCC(=O)NCCCc2ccccc2O)s1
InChIInChI=1S/C13H16N4O2S2/c14-12-16-17-13(21-12)20-8-11(19)15-7-3-5-9-4-1-2-6-10(9)18/h1-2,4,6,18H,3,5,7-8H2,(H2,14,16)(H,15,19)
InChIKeyDWUNTWNXAFAIMO-UHFFFAOYSA-N
XLogP1.67
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(2-hydroxy-2-phenylethyl)acetamide
CID 46992494
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(2-hydroxybenzyl)-N-methylacetamide
CID 46984967
N-[2-(2-methoxyphenyl)ethyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 17414291
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide
CID 52391584
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide
CID 52391585
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 78785354
5-amino-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614874

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(2-hydroxyphenyl)propyl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(2-hydroxyphenyl)propyl]acetamide (CID 46991045) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(2-hydroxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(2-hydroxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(2-hydroxyphenyl)propyl]acetamide is Nc1nnc(SCC(=O)NCCCc2ccccc2O)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(2-hydroxyphenyl)propyl]acetamide?
The InChIKey is DWUNTWNXAFAIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c14-12-16-17-13(21-12)20-8-11(19)15-7-3-5-9-4-1-2-6-10(9)18/h1-2,4,6,18H,3,5,7-8H2,(H2,14,16)(H,15,19).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(2-hydroxyphenyl)propyl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(2-hydroxyphenyl)propyl]acetamide has a molecular weight of 324.43 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(2-hydroxyphenyl)propyl]acetamide is sourced from PubChem (CID 46991045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).