N-(4-phenoxyphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

C23H19N3O2S — CID 23644856

IUPACN-(4-phenoxyphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1scnc1CCc1ccncc1
InChIInChI=1S/C23H19N3O2S/c27-23(22-21(25-16-29-22)11-6-17-12-14-24-15-13-17)26-18-7-9-20(10-8-18)28-19-4-2-1-3-5-19/h1-5,7-10,12-16H,6,11H2,(H,26,27)
InChIKeyHDOCUDLZEJKKPA-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.37
Rot. Bonds7

About N-(4-phenoxyphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

N-(4-phenoxyphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 23644856) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID23644856
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC NameN-(4-phenoxyphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1scnc1CCc1ccncc1
InChIInChI=1S/C23H19N3O2S/c27-23(22-21(25-16-29-22)11-6-17-12-14-24-15-13-17)26-18-7-9-20(10-8-18)28-19-4-2-1-3-5-19/h1-5,7-10,12-16H,6,11H2,(H,26,27)
InChIKeyHDOCUDLZEJKKPA-UHFFFAOYSA-N
XLogP5.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Osi-930
CID 9868037
3-amino-6-(4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 1086315
N-[4-(chlorodifluoromethoxy)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644841
N-(2H-1,3-benzodioxol-5-yl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644853
N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 892238
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
CID 10094283
5-(4-Methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one
CID 10475456
N-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093961
(2S)-N-(4-methoxy-3-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497024
5-[[3-[[4-(1,3-Thiazol-2-yl)benzoyl]amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124156454
2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 850702
2-(4-methoxyanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 2307725

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 23644856) is N-(4-phenoxyphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1scnc1CCc1ccncc1.
What is the InChIKey of N-(4-phenoxyphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HDOCUDLZEJKKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c27-23(22-21(25-16-29-22)11-6-17-12-14-24-15-13-17)26-18-7-9-20(10-8-18)28-19-4-2-1-3-5-19/h1-5,7-10,12-16H,6,11H2,(H,26,27).
What are the key properties of N-(4-phenoxyphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
N-(4-phenoxyphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23644856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).