N-[1-[4-[[2-(2-chloro-4-pyrazin-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide

C23H19ClN4O4S — CID 57411396

IUPACN-[1-[4-[[2-(2-chloro-4-pyrazin-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(Oc2cnc(Oc3ccc(Oc4cnccn4)cc3Cl)s2)cc1
InChIInChI=1S/C23H19ClN4O4S/c1-14(28-15(2)29)16-3-5-17(6-4-16)31-22-13-27-23(33-22)32-20-8-7-18(11-19(20)24)30-21-12-25-9-10-26-21/h3-14H,1-2H3,(H,28,29)
InChIKeyMCXLTPWVBQXOCM-UHFFFAOYSA-N
MW482.95 g/mol
LogP6.16
Rot. Bonds8

About N-[1-[4-[[2-(2-chloro-4-pyrazin-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide

N-[1-[4-[[2-(2-chloro-4-pyrazin-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide (PubChem CID 57411396) has the molecular formula C23H19ClN4O4S and a molecular weight of 482.95 g/mol. Its IUPAC name is N-[1-[4-[[2-(2-chloro-4-pyrazin-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[[2-(2-chloro-4-pyrazin-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide
PubChem CID57411396
Molecular FormulaC23H19ClN4O4S
Molecular Weight482.95 g/mol
Exact Mass482.08
IUPAC NameN-[1-[4-[[2-(2-chloro-4-pyrazin-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(Oc2cnc(Oc3ccc(Oc4cnccn4)cc3Cl)s2)cc1
InChIInChI=1S/C23H19ClN4O4S/c1-14(28-15(2)29)16-3-5-17(6-4-16)31-22-13-27-23(33-22)32-20-8-7-18(11-19(20)24)30-21-12-25-9-10-26-21/h3-14H,1-2H3,(H,28,29)
InChIKeyMCXLTPWVBQXOCM-UHFFFAOYSA-N
XLogP6.16
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.95
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 57411276
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(1R)-1-(4-pyrazin-2-yloxyphenyl)ethanol
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ethyl 2-[4-[[5-[(E,3S)-3-acetamidobut-1-enyl]-2-pyridinyl]oxy]-3-chlorophenoxy]-1,3-thiazole-5-carboxylate
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(E)-3-(2-chloro-4-fluorophenyl)-N-[(1S)-1-(3-pyrazin-2-yloxyphenyl)ethyl]prop-2-enamide
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(E)-3-phenyl-N-[(1S)-1-(3-pyrazin-2-yloxyphenyl)ethyl]prop-2-enamide
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CID 123623068
N-[(1R)-1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide
CID 45487729
N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68758504
N-[1-[2-(3-bromo-4-ethoxyphenoxy)quinolin-6-yl]ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[2-(2-chloro-4-pyrazin-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[[2-(2-chloro-4-pyrazin-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide (CID 57411396) is N-[1-[4-[[2-(2-chloro-4-pyrazin-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[[2-(2-chloro-4-pyrazin-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[[2-(2-chloro-4-pyrazin-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(Oc2cnc(Oc3ccc(Oc4cnccn4)cc3Cl)s2)cc1.
What is the InChIKey of N-[1-[4-[[2-(2-chloro-4-pyrazin-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide?
The InChIKey is MCXLTPWVBQXOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4S/c1-14(28-15(2)29)16-3-5-17(6-4-16)31-22-13-27-23(33-22)32-20-8-7-18(11-19(20)24)30-21-12-25-9-10-26-21/h3-14H,1-2H3,(H,28,29).
What are the key properties of N-[1-[4-[[2-(2-chloro-4-pyrazin-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide?
N-[1-[4-[[2-(2-chloro-4-pyrazin-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide has a molecular weight of 482.95 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[2-(2-chloro-4-pyrazin-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide is sourced from PubChem (CID 57411396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).