2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide

C15H18N2O2S — CID 47466332

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
SMILESCCc1nc(CC(=O)NCc2ccccc2CO)cs1
InChIInChI=1S/C15H18N2O2S/c1-2-15-17-13(10-20-15)7-14(19)16-8-11-5-3-4-6-12(11)9-18/h3-6,10,18H,2,7-9H2,1H3,(H,16,19)
InChIKeyJLCFPAPJZSPPEE-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.06
Rot. Bonds6

About 2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide

2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide (PubChem CID 47466332) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
PubChem CID47466332
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
SMILESCCc1nc(CC(=O)NCc2ccccc2CO)cs1
InChIInChI=1S/C15H18N2O2S/c1-2-15-17-13(10-20-15)7-14(19)16-8-11-5-3-4-6-12(11)9-18/h3-6,10,18H,2,7-9H2,1H3,(H,16,19)
InChIKeyJLCFPAPJZSPPEE-UHFFFAOYSA-N
XLogP2.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol
CID 110906009
2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide
CID 47378517
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652
N-[(2-chlorophenyl)methyl]-2-[2-(sulfanylmethyl)-1,3-thiazol-4-yl]acetamide
CID 91525687
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
N-[(2-methoxyphenyl)methyl]-2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389773
2-(2-ethyl-1,3-thiazol-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 110903716
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29454557
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119526028
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55577890

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide (CID 47466332) is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide is CCc1nc(CC(=O)NCc2ccccc2CO)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide?
The InChIKey is JLCFPAPJZSPPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-15-17-13(10-20-15)7-14(19)16-8-11-5-3-4-6-12(11)9-18/h3-6,10,18H,2,7-9H2,1H3,(H,16,19).
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide?
2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 47466332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).