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

C12H12N2O2S — CID 110482292

IUPACN-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1cccc(O)c1)c1cscn1
InChIInChI=1S/C12H12N2O2S/c15-10-3-1-2-9(6-10)4-5-13-12(16)11-7-17-8-14-11/h1-3,6-8,15H,4-5H2,(H,13,16)
InChIKeyXJWULMIIEIEBOY-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.82
Rot. Bonds4

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

N-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 110482292) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID110482292
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1cccc(O)c1)c1cscn1
InChIInChI=1S/C12H12N2O2S/c15-10-3-1-2-9(6-10)4-5-13-12(16)11-7-17-8-14-11/h1-3,6-8,15H,4-5H2,(H,13,16)
InChIKeyXJWULMIIEIEBOY-UHFFFAOYSA-N
XLogP1.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 110482293
N-[2-(3-hydroxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110483053
N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 62044830
N-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide
CID 110482144
N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63049252
N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049431
N-[3-(3-bromopropyl)phenyl]-1,3-thiazole-4-carboxamide
CID 113397924
N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
CID 63049091
N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide
CID 141064187
N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 162475307
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3-hydroxyphenyl)ethyl]acetamide
CID 110483661
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 110472168

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 110482292) is N-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is O=C(NCCc1cccc(O)c1)c1cscn1.
What is the InChIKey of N-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XJWULMIIEIEBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-10-3-1-2-9(6-10)4-5-13-12(16)11-7-17-8-14-11/h1-3,6-8,15H,4-5H2,(H,13,16).
What are the key properties of N-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
N-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110482292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).