2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide

C13H16N4O2S — CID 19114306

IUPAC2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2nnns2)cc1
InChIInChI=1S/C13H16N4O2S/c1-13(2,3)9-4-6-10(7-5-9)19-8-11(18)14-12-15-16-17-20-12/h4-7H,8H2,1-3H3,(H,14,15,17,18)
InChIKeyGXOCYPDYDDEEMA-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.25
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide

2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide (PubChem CID 19114306) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide
PubChem CID19114306
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2nnns2)cc1
InChIInChI=1S/C13H16N4O2S/c1-13(2,3)9-4-6-10(7-5-9)19-8-11(18)14-12-15-16-17-20-12/h4-7H,8H2,1-3H3,(H,14,15,17,18)
InChIKeyGXOCYPDYDDEEMA-UHFFFAOYSA-N
XLogP2.25
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114256
4-tert-butyl-N-(thiatriazol-5-yl)benzamide
CID 19114244
2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114305
2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 19178619
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991360
2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114282
2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 114911560
2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670
2-(2-methylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114261
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-tert-butylphenoxy)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 44791755
2-(4-tert-butylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17011876

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide (CID 19114306) is 2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2nnns2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide?
The InChIKey is GXOCYPDYDDEEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-13(2,3)9-4-6-10(7-5-9)19-8-11(18)14-12-15-16-17-20-12/h4-7H,8H2,1-3H3,(H,14,15,17,18).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide?
2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide has a molecular weight of 292.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide is sourced from PubChem (CID 19114306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).