N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide

C15H18N2O2S — CID 103799825

IUPACN-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)C(C)c2ccccc2O)s1
InChIInChI=1S/C15H18N2O2S/c1-9-14(20-11(3)16-9)15(19)17(4)10(2)12-7-5-6-8-13(12)18/h5-8,10,18H,1-4H3
InChIKeyOXLSYLVXBNSYFX-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.30
Rot. Bonds3

About N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide

N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 103799825) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID103799825
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)C(C)c2ccccc2O)s1
InChIInChI=1S/C15H18N2O2S/c1-9-14(20-11(3)16-9)15(19)17(4)10(2)12-7-5-6-8-13(12)18/h5-8,10,18H,1-4H3
InChIKeyOXLSYLVXBNSYFX-UHFFFAOYSA-N
XLogP3.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 63798305
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 62788080
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide
CID 61044662
5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide
CID 61113866
2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043567
N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 97315027
2,4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 86986197
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide
CID 95614602
3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61114053
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 54913010

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide (CID 103799825) is N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(C)C(C)c2ccccc2O)s1.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is OXLSYLVXBNSYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-9-14(20-11(3)16-9)15(19)17(4)10(2)12-7-5-6-8-13(12)18/h5-8,10,18H,1-4H3.
What are the key properties of N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103799825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).