N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide

C13H14N2O3S — CID 103868856

IUPACN-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cncs2)cc1CO
InChIInChI=1S/C13H14N2O3S/c1-2-18-11-4-3-10(5-9(11)7-16)15-13(17)12-6-14-8-19-12/h3-6,8,16H,2,7H2,1H3,(H,15,17)
InChIKeyIMYVEZYZJSGLOW-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.29
Rot. Bonds5

About N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 103868856) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID103868856
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cncs2)cc1CO
InChIInChI=1S/C13H14N2O3S/c1-2-18-11-4-3-10(5-9(11)7-16)15-13(17)12-6-14-8-19-12/h3-6,8,16H,2,7H2,1H3,(H,15,17)
InChIKeyIMYVEZYZJSGLOW-UHFFFAOYSA-N
XLogP2.29
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61015216
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-iodothiophene-3-carboxamide
CID 79693780
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64950704
5-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79998079
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 61013736
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide
CID 61014959
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 110899645
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide
CID 103513891

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 103868856) is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide is CCOc1ccc(NC(=O)c2cncs2)cc1CO.
What is the InChIKey of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IMYVEZYZJSGLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-2-18-11-4-3-10(5-9(11)7-16)15-13(17)12-6-14-8-19-12/h3-6,8,16H,2,7H2,1H3,(H,15,17).
What are the key properties of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide?
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103868856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).