N-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide

C21H21N3O2S — CID 110300179

IUPACN-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NCC1CCCO1
InChIInChI=1S/C21H21N3O2S/c25-20(23-13-18-2-1-11-26-18)12-15-3-5-16(6-4-15)19-14-27-21(24-19)17-7-9-22-10-8-17/h3-10,14,18H,1-2,11-13H2,(H,23,25)
InChIKeyCDUNCZJZHUEKON-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.71
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide

N-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 110300179) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID110300179
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NCC1CCCO1
InChIInChI=1S/C21H21N3O2S/c25-20(23-13-18-2-1-11-26-18)12-15-3-5-16(6-4-15)19-14-27-21(24-19)17-7-9-22-10-8-17/h3-10,14,18H,1-2,11-13H2,(H,23,25)
InChIKeyCDUNCZJZHUEKON-UHFFFAOYSA-N
XLogP3.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 30661838
N-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389610
2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9123141
N-[[(2S)-oxolan-2-yl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 34750356
N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 93191640
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 56823088
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] pyridine-4-carboxylate
CID 7783951
2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 134711935
N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 124951201
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
CID 108739638
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94026439

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide (CID 110300179) is N-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide is O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is CDUNCZJZHUEKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-20(23-13-18-2-1-11-26-18)12-15-3-5-16(6-4-15)19-14-27-21(24-19)17-7-9-22-10-8-17/h3-10,14,18H,1-2,11-13H2,(H,23,25).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
N-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 379.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 110300179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).