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

C12H12N2O2S — CID 110482293

IUPACN-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccccc1O)c1cscn1
InChIInChI=1S/C12H12N2O2S/c15-11-4-2-1-3-9(11)5-6-13-12(16)10-7-17-8-14-10/h1-4,7-8,15H,5-6H2,(H,13,16)
InChIKeyILSRYBRCEXMBRO-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.82
Rot. Bonds4

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

N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 110482293) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID110482293
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccccc1O)c1cscn1
InChIInChI=1S/C12H12N2O2S/c15-11-4-2-1-3-9(11)5-6-13-12(16)10-7-17-8-14-10/h1-4,7-8,15H,5-6H2,(H,13,16)
InChIKeyILSRYBRCEXMBRO-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]pyridine-2-carboxamide
CID 110672365
N-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 110482292
N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 62044830
N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
CID 63049091
N-[2-(2-ethynyl-4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 163387819
N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63038083
N-(4-bromobutyl)-1,3-thiazole-4-carboxamide
CID 106845763
N-pentyl-1,3-thiazole-4-carboxamide
CID 62045475
N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide
CID 84557796
N-butyl-1,3-thiazole-4-carboxamide;ethane
CID 176555037
N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 63038055
N-(2-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 62046507

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 110482293) is N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is O=C(NCCc1ccccc1O)c1cscn1.
What is the InChIKey of N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ILSRYBRCEXMBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-11-4-2-1-3-9(11)5-6-13-12(16)10-7-17-8-14-10/h1-4,7-8,15H,5-6H2,(H,13,16).
What are the key properties of N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
N-[2-(2-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-(2-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110482293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).