N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide

C26H26N4O2S — CID 46881651

IUPACN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C26H26N4O2S/c31-24(21-7-4-13-27-16-21)17-28-14-12-19-8-10-22(11-9-19)29-25(32)15-26-30-23(18-33-26)20-5-2-1-3-6-20/h1-11,13,16,18,24,28,31H,12,14-15,17H2,(H,29,32)/t24-/m0/s1
InChIKeyFEZCEVIDMRCUGC-DEOSSOPVSA-N
MW458.59 g/mol
LogP4.25
Rot. Bonds10

About N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide

N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 46881651) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID46881651
Molecular FormulaC26H26N4O2S
Molecular Weight458.59 g/mol
Exact Mass458.18
IUPAC NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C26H26N4O2S/c31-24(21-7-4-13-27-16-21)17-28-14-12-19-8-10-22(11-9-19)29-25(32)15-26-30-23(18-33-26)20-5-2-1-3-6-20/h1-11,13,16,18,24,28,31H,12,14-15,17H2,(H,29,32)/t24-/m0/s1
InChIKeyFEZCEVIDMRCUGC-DEOSSOPVSA-N
XLogP4.25
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 46881651) is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(Cc1nc(-c2ccccc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1.
What is the InChIKey of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is FEZCEVIDMRCUGC-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H26N4O2S/c31-24(21-7-4-13-27-16-21)17-28-14-12-19-8-10-22(11-9-19)29-25(32)15-26-30-23(18-33-26)20-5-2-1-3-6-20/h1-11,13,16,18,24,28,31H,12,14-15,17H2,(H,29,32)/t24-/m0/s1.
What are the key properties of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 458.59 g/mol, XLogP of 4.25, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 46881651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).