2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide

C12H13N3O2S — CID 82547725

IUPAC2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
SMILESNCc1nc(CC(=O)Nc2ccc(O)cc2)cs1
InChIInChI=1S/C12H13N3O2S/c13-6-12-15-9(7-18-12)5-11(17)14-8-1-3-10(16)4-2-8/h1-4,7,16H,5-6,13H2,(H,14,17)
InChIKeyRDEQGZJVKBRJQS-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.49
Rot. Bonds4

About 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide (PubChem CID 82547725) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
PubChem CID82547725
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
SMILESNCc1nc(CC(=O)Nc2ccc(O)cc2)cs1
InChIInChI=1S/C12H13N3O2S/c13-6-12-15-9(7-18-12)5-11(17)14-8-1-3-10(16)4-2-8/h1-4,7,16H,5-6,13H2,(H,14,17)
InChIKeyRDEQGZJVKBRJQS-UHFFFAOYSA-N
XLogP1.49
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547722
4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 82547522
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide
CID 82547528
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 82547684
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 82547737
methyl 4-[[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 110450768
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 94256521
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide
CID 110450896
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 110386782
N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110483632
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-chlorophenyl)acetamide
CID 43244296
2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide
CID 12686359

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide (CID 82547725) is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide is NCc1nc(CC(=O)Nc2ccc(O)cc2)cs1.
What is the InChIKey of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide?
The InChIKey is RDEQGZJVKBRJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-6-12-15-9(7-18-12)5-11(17)14-8-1-3-10(16)4-2-8/h1-4,7,16H,5-6,13H2,(H,14,17).
What are the key properties of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide?
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide has a molecular weight of 263.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 82547725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).