2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide

C13H14N2O2S — CID 78916971

IUPAC2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncc(CNC(=O)Cc2ccccc2O)s1
InChIInChI=1S/C13H14N2O2S/c1-9-14-7-11(18-9)8-15-13(17)6-10-4-2-3-5-12(10)16/h2-5,7,16H,6,8H2,1H3,(H,15,17)
InChIKeyHRKFTLYJUICQEX-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.02
Rot. Bonds4

About 2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide

2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 78916971) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID78916971
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncc(CNC(=O)Cc2ccccc2O)s1
InChIInChI=1S/C13H14N2O2S/c1-9-14-7-11(18-9)8-15-13(17)6-10-4-2-3-5-12(10)16/h2-5,7,16H,6,8H2,1H3,(H,15,17)
InChIKeyHRKFTLYJUICQEX-UHFFFAOYSA-N
XLogP2.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 39855034
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
2-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]acetic acid
CID 115461723
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86836135
2-(3-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825840
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825809
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 79038909
3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825746
2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120595863
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide
CID 39855027
5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 61280444
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide (CID 78916971) is 2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide is Cc1ncc(CNC(=O)Cc2ccccc2O)s1.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is HRKFTLYJUICQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-14-7-11(18-9)8-15-13(17)6-10-4-2-3-5-12(10)16/h2-5,7,16H,6,8H2,1H3,(H,15,17).
What are the key properties of 2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 262.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 78916971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).