2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide

C18H16N2O3S — CID 24712411

IUPAC2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(OCc2nc(C(=O)Nc3ccccc3)cs2)cc1
InChIInChI=1S/C18H16N2O3S/c1-22-14-7-9-15(10-8-14)23-11-17-20-16(12-24-17)18(21)19-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyDQIBWJTXZGIXSH-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.98
Rot. Bonds6

About 2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide

2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 24712411) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
PubChem CID24712411
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(OCc2nc(C(=O)Nc3ccccc3)cs2)cc1
InChIInChI=1S/C18H16N2O3S/c1-22-14-7-9-15(10-8-14)23-11-17-20-16(12-24-17)18(21)19-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyDQIBWJTXZGIXSH-UHFFFAOYSA-N
XLogP3.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42835469
N-phenyl-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003146
2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24529648
N-(4-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948201
N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285381
1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 2744803
2-[(4-fluorophenoxy)methyl]-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24671861
methyl 2-[[3-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carbonyl]amino]benzoyl]amino]acetate
CID 55727980
2-[(4-chlorophenoxy)methyl]-N-[(1R,2S)-2-(phenylcarbamoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014783
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93158707
2-[(4-chlorophenoxy)methyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 55767254

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide (CID 24712411) is 2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide is COc1ccc(OCc2nc(C(=O)Nc3ccccc3)cs2)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is DQIBWJTXZGIXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-14-7-9-15(10-8-14)23-11-17-20-16(12-24-17)18(21)19-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,21).
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide?
2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24712411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).