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

C15H18N2O2S — CID 47317319

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2sc(C)nc2C)c(O)c1
InChIInChI=1S/C15H18N2O2S/c1-8-5-6-12(13(18)7-8)15(19)17-10(3)14-9(2)16-11(4)20-14/h5-7,10,18H,1-4H3,(H,17,19)
InChIKeyDVTVOWLULUZBKZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.26
Rot. Bonds3

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide (PubChem CID 47317319) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
PubChem CID47317319
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2sc(C)nc2C)c(O)c1
InChIInChI=1S/C15H18N2O2S/c1-8-5-6-12(13(18)7-8)15(19)17-10(3)14-9(2)16-11(4)20-14/h5-7,10,18H,1-4H3,(H,17,19)
InChIKeyDVTVOWLULUZBKZ-UHFFFAOYSA-N
XLogP3.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-methylbenzamide
CID 62512190
4-(diethylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxybenzamide
CID 95092297
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-dihydroxybenzamide
CID 104938902
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)benzamide
CID 61376507
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-sulfanylbenzamide
CID 107025589
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(methylamino)benzamide
CID 62174107
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 94033085
5-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluorobenzamide
CID 61192271
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluorobenzamide
CID 47317355
2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 24700633
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide
CID 61193208
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]furan-2-carboxamide
CID 47317372

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide (CID 47317319) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NC(C)c2sc(C)nc2C)c(O)c1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide?
The InChIKey is DVTVOWLULUZBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-8-5-6-12(13(18)7-8)15(19)17-10(3)14-9(2)16-11(4)20-14/h5-7,10,18H,1-4H3,(H,17,19).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide has a molecular weight of 290.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 47317319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).