2-[(4-chlorophenoxy)methyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-4-carboxamide

C23H18ClN3O3S — CID 55767254

IUPAC2-[(4-chlorophenoxy)methyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cn2ccccc2=O)cc1)c1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C23H18ClN3O3S/c24-17-6-10-19(11-7-17)30-14-21-26-20(15-31-21)23(29)25-18-8-4-16(5-9-18)13-27-12-2-1-3-22(27)28/h1-12,15H,13-14H2,(H,25,29)
InChIKeyHHGOFLAONXRCEA-UHFFFAOYSA-N
MW451.94 g/mol
LogP4.84
Rot. Bonds7

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

2-[(4-chlorophenoxy)methyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 55767254) has the molecular formula C23H18ClN3O3S and a molecular weight of 451.94 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID55767254
Molecular FormulaC23H18ClN3O3S
Molecular Weight451.94 g/mol
Exact Mass451.08
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cn2ccccc2=O)cc1)c1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C23H18ClN3O3S/c24-17-6-10-19(11-7-17)30-14-21-26-20(15-31-21)23(29)25-18-8-4-16(5-9-18)13-27-12-2-1-3-22(27)28/h1-12,15H,13-14H2,(H,25,29)
InChIKeyHHGOFLAONXRCEA-UHFFFAOYSA-N
XLogP4.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.94
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 24712411
N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
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N-[(2S)-butan-2-yl]-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158607
2-[(4-chlorophenoxy)methyl]-N-[(1R,2S)-2-(phenylcarbamoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide
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2-[(4-fluorophenoxy)methyl]-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
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CID 2744804
2-[(4-chlorophenoxy)methyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 55532130
2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
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2-(3,4-dichlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetamide
CID 55859224
2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24529648
2-[(4-chlorophenoxy)methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 39897975
2-[(4-fluorophenoxy)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-4-carboxamide (CID 55767254) is 2-[(4-chlorophenoxy)methyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Cn2ccccc2=O)cc1)c1csc(COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HHGOFLAONXRCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S/c24-17-6-10-19(11-7-17)30-14-21-26-20(15-31-21)23(29)25-18-8-4-16(5-9-18)13-27-12-2-1-3-22(27)28/h1-12,15H,13-14H2,(H,25,29).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-4-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 451.94 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55767254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).