5-amino-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide

C11H12N4O2S — CID 80614874

IUPAC5-amino-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)NCCc2ccc(O)cc2)s1
InChIInChI=1S/C11H12N4O2S/c12-11-15-14-10(18-11)9(17)13-6-5-7-1-3-8(16)4-2-7/h1-4,16H,5-6H2,(H2,12,15)(H,13,17)
InChIKeyUTKPOOSISQVISV-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.80
Rot. Bonds4

About 5-amino-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide

5-amino-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80614874) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-amino-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80614874
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name5-amino-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)NCCc2ccc(O)cc2)s1
InChIInChI=1S/C11H12N4O2S/c12-11-15-14-10(18-11)9(17)13-6-5-7-1-3-8(16)4-2-7/h1-4,16H,5-6H2,(H2,12,15)(H,13,17)
InChIKeyUTKPOOSISQVISV-UHFFFAOYSA-N
XLogP0.80
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide (CID 80614874) is 5-amino-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide is Nc1nnc(C(=O)NCCc2ccc(O)cc2)s1.
What is the InChIKey of 5-amino-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UTKPOOSISQVISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c12-11-15-14-10(18-11)9(17)13-6-5-7-1-3-8(16)4-2-7/h1-4,16H,5-6H2,(H2,12,15)(H,13,17).
What are the key properties of 5-amino-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80614874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).