N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide

C14H16N2O2S — CID 103957294

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide
SMILESCCc1cnc(CNC(=O)c2ccc(O)c(C)c2)s1
InChIInChI=1S/C14H16N2O2S/c1-3-11-7-15-13(19-11)8-16-14(18)10-4-5-12(17)9(2)6-10/h4-7,17H,3,8H2,1-2H3,(H,16,18)
InChIKeySDXHJNYJWZUDRB-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.65
Rot. Bonds4

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide (PubChem CID 103957294) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide
PubChem CID103957294
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide
SMILESCCc1cnc(CNC(=O)c2ccc(O)c(C)c2)s1
InChIInChI=1S/C14H16N2O2S/c1-3-11-7-15-13(19-11)8-16-14(18)10-4-5-12(17)9(2)6-10/h4-7,17H,3,8H2,1-2H3,(H,16,18)
InChIKeySDXHJNYJWZUDRB-UHFFFAOYSA-N
XLogP2.65
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 103718321
N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103956442
4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 103873486
5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685818
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 103709233
2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide
CID 103709212
3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 103709249
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 113245137
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide
CID 113245129
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814833
4-hydroxy-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 103956033
4-hydroxy-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 113358719

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide (CID 103957294) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide is CCc1cnc(CNC(=O)c2ccc(O)c(C)c2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide?
The InChIKey is SDXHJNYJWZUDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-11-7-15-13(19-11)8-16-14(18)10-4-5-12(17)9(2)6-10/h4-7,17H,3,8H2,1-2H3,(H,16,18).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide has a molecular weight of 276.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 103957294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).