N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide

C25H22N4O3S — CID 55434069

IUPACN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide
SMILESCC(=O)NC(C)c1ccc(-c2csc(NC(=O)c3cccnc3Oc3ccccc3)n2)cc1
InChIInChI=1S/C25H22N4O3S/c1-16(27-17(2)30)18-10-12-19(13-11-18)22-15-33-25(28-22)29-23(31)21-9-6-14-26-24(21)32-20-7-4-3-5-8-20/h3-16H,1-2H3,(H,27,30)(H,28,29,31)
InChIKeyHVZMNCDNALDVCG-UHFFFAOYSA-N
MW458.54 g/mol
LogP5.45
Rot. Bonds7

About N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide (PubChem CID 55434069) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide
PubChem CID55434069
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC NameN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide
SMILESCC(=O)NC(C)c1ccc(-c2csc(NC(=O)c3cccnc3Oc3ccccc3)n2)cc1
InChIInChI=1S/C25H22N4O3S/c1-16(27-17(2)30)18-10-12-19(13-11-18)22-15-33-25(28-22)29-23(31)21-9-6-14-26-24(21)32-20-7-4-3-5-8-20/h3-16H,1-2H3,(H,27,30)(H,28,29,31)
InChIKeyHVZMNCDNALDVCG-UHFFFAOYSA-N
XLogP5.45
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.54
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
CID 55435009
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylbenzamide
CID 55667953
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55607661
N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide
CID 97317188
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55791811
2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 9111057
N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 42375876
ethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 55354839
2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4530772
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-ethoxypyridine-3-carboxamide
CID 16551700
2-phenoxy-N-[4-[2-[(2-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 4138513
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 46668786

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide (CID 55434069) is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide is CC(=O)NC(C)c1ccc(-c2csc(NC(=O)c3cccnc3Oc3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide?
The InChIKey is HVZMNCDNALDVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c1-16(27-17(2)30)18-10-12-19(13-11-18)22-15-33-25(28-22)29-23(31)21-9-6-14-26-24(21)32-20-7-4-3-5-8-20/h3-16H,1-2H3,(H,27,30)(H,28,29,31).
What are the key properties of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide?
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 55434069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).