N-(2-aminophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide

C26H24N4O2S — CID 59160914

IUPACN-(2-aminophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C2(c3nc(-c4cccnc4)cs3)CCOCC2)cc1
InChIInChI=1S/C26H24N4O2S/c27-21-5-1-2-6-22(21)29-24(31)18-7-9-20(10-8-18)26(11-14-32-15-12-26)25-30-23(17-33-25)19-4-3-13-28-16-19/h1-10,13,16-17H,11-12,14-15,27H2,(H,29,31)
InChIKeyKICFXSMLPHVQQO-UHFFFAOYSA-N
MW456.57 g/mol
LogP5.14
Rot. Bonds5

About N-(2-aminophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide

N-(2-aminophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide (PubChem CID 59160914) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide
PubChem CID59160914
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC NameN-(2-aminophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C2(c3nc(-c4cccnc4)cs3)CCOCC2)cc1
InChIInChI=1S/C26H24N4O2S/c27-21-5-1-2-6-22(21)29-24(31)18-7-9-20(10-8-18)26(11-14-32-15-12-26)25-30-23(17-33-25)19-4-3-13-28-16-19/h1-10,13,16-17H,11-12,14-15,27H2,(H,29,31)
InChIKeyKICFXSMLPHVQQO-UHFFFAOYSA-N
XLogP5.14
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide (CID 59160914) is N-(2-aminophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide is Nc1ccccc1NC(=O)c1ccc(C2(c3nc(-c4cccnc4)cs3)CCOCC2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide?
The InChIKey is KICFXSMLPHVQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c27-21-5-1-2-6-22(21)29-24(31)18-7-9-20(10-8-18)26(11-14-32-15-12-26)25-30-23(17-33-25)19-4-3-13-28-16-19/h1-10,13,16-17H,11-12,14-15,27H2,(H,29,31).
What are the key properties of N-(2-aminophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide?
N-(2-aminophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide has a molecular weight of 456.57 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide is sourced from PubChem (CID 59160914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).