N-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide

C28H23N5O2S2 — CID 24958489

IUPACN-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
SMILESO=C(NCC(O)(c1ccccc1)c1ccccc1)c1cc(Sc2cnc(Nc3ccccn3)s2)ccn1
InChIInChI=1S/C28H23N5O2S2/c34-26(32-19-28(35,20-9-3-1-4-10-20)21-11-5-2-6-12-21)23-17-22(14-16-29-23)36-25-18-31-27(37-25)33-24-13-7-8-15-30-24/h1-18,35H,19H2,(H,32,34)(H,30,31,33)
InChIKeyYJZCYXXYAVVSGC-UHFFFAOYSA-N
MW525.66 g/mol
LogP5.49
Rot. Bonds9

About N-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide

N-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (PubChem CID 24958489) has the molecular formula C28H23N5O2S2 and a molecular weight of 525.66 g/mol. Its IUPAC name is N-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
PubChem CID24958489
Molecular FormulaC28H23N5O2S2
Molecular Weight525.66 g/mol
Exact Mass525.13
IUPAC NameN-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
SMILESO=C(NCC(O)(c1ccccc1)c1ccccc1)c1cc(Sc2cnc(Nc3ccccn3)s2)ccn1
InChIInChI=1S/C28H23N5O2S2/c34-26(32-19-28(35,20-9-3-1-4-10-20)21-11-5-2-6-12-21)23-17-22(14-16-29-23)36-25-18-31-27(37-25)33-24-13-7-8-15-30-24/h1-18,35H,19H2,(H,32,34)(H,30,31,33)
InChIKeyYJZCYXXYAVVSGC-UHFFFAOYSA-N
XLogP5.49
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (CID 24958489) is N-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is O=C(NCC(O)(c1ccccc1)c1ccccc1)c1cc(Sc2cnc(Nc3ccccn3)s2)ccn1.
What is the InChIKey of N-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
The InChIKey is YJZCYXXYAVVSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O2S2/c34-26(32-19-28(35,20-9-3-1-4-10-20)21-11-5-2-6-12-21)23-17-22(14-16-29-23)36-25-18-31-27(37-25)33-24-13-7-8-15-30-24/h1-18,35H,19H2,(H,32,34)(H,30,31,33).
What are the key properties of N-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?
N-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide has a molecular weight of 525.66 g/mol, XLogP of 5.49, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,2-diphenylethyl)-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is sourced from PubChem (CID 24958489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).