2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide

C13H15N3O2S — CID 62788080

IUPAC2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1csc(N)n1
InChIInChI=1S/C13H15N3O2S/c1-8(9-5-3-4-6-11(9)17)16(2)12(18)10-7-19-13(14)15-10/h3-8,17H,1-2H3,(H2,14,15)
InChIKeyMKKLHNUBXRKUAG-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.26
Rot. Bonds3

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

2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 62788080) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID62788080
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1csc(N)n1
InChIInChI=1S/C13H15N3O2S/c1-8(9-5-3-4-6-11(9)17)16(2)12(18)10-7-19-13(14)15-10/h3-8,17H,1-2H3,(H2,14,15)
InChIKeyMKKLHNUBXRKUAG-UHFFFAOYSA-N
XLogP2.26
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 54913010
2-amino-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 62788598
2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 62789071
2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66376296
2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 79494174
3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61114053
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 103799825
4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61116700
3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 63798305
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
6-amino-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62980163

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 62788080) is 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide is CC(c1ccccc1O)N(C)C(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is MKKLHNUBXRKUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8(9-5-3-4-6-11(9)17)16(2)12(18)10-7-19-13(14)15-10/h3-8,17H,1-2H3,(H2,14,15).
What are the key properties of 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).