[2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone

C22H21ClN2O3S — CID 11166272

IUPAC[2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(C(=O)N2CCCC2)c1OCc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H21ClN2O3S/c1-27-19-6-4-5-18(22(26)25-11-2-3-12-25)20(19)28-13-17-14-29-21(24-17)15-7-9-16(23)10-8-15/h4-10,14H,2-3,11-13H2,1H3
InChIKeyHYAZLEWRQQTIKR-UHFFFAOYSA-N
MW428.94 g/mol
LogP5.29
Rot. Bonds6

About [2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone

[2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 11166272) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is [2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone
PubChem CID11166272
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name[2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(C(=O)N2CCCC2)c1OCc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H21ClN2O3S/c1-27-19-6-4-5-18(22(26)25-11-2-3-12-25)20(19)28-13-17-14-29-21(24-17)15-7-9-16(23)10-8-15/h4-10,14H,2-3,11-13H2,1H3
InChIKeyHYAZLEWRQQTIKR-UHFFFAOYSA-N
XLogP5.29
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.94
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone 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-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 156702330
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-3-methoxybenzamide
CID 7518350
2-(4-Chlorophenyl)-4-{[2-(pyrrolidine-1-carbonyl)phenoxy]methyl}-1,3-thiazole
CID 11200377
{3-Chloro-2-[2-(4-chloro-phenyl)-thiazol-4-ylmethoxy]-phenyl}-pyrrolidin-1-yl-methanone
CID 44402348
{2-[2-(4-Chloro-phenyl)-thiazol-4-ylmethoxy]-3-methyl-phenyl}-pyrrolidin-1-yl-methanone
CID 44402481
1-{2-[2-(4-Chloro-phenyl)-thiazol-4-ylmethoxy]-3-methoxy-benzyl}-azocane
CID 44402597
4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42682541
{2-[2-(4-Chloro-phenyl)-thiazol-4-ylmethoxy]-3-methoxy-phenyl}-piperidin-1-yl-methanone
CID 44402353
{2-[2-(4-Chloro-phenyl)-thiazol-4-ylmethoxy]-3-isopropoxy-phenyl}-pyrrolidin-1-yl-methanone
CID 44402391
(2-{1-[2-(4-Chloro-phenyl)-thiazol-4-yl]-ethoxy}-3-methoxy-phenyl)-pyrrolidin-1-yl-methanone
CID 44402412
{2-[2-(4-Chloro-phenyl)-thiazol-4-ylmethoxy]-3-ethoxy-phenyl}-pyrrolidin-1-yl-methanone
CID 44402565
{2-[2-(4-Chloro-phenyl)-thiazol-4-ylmethoxy]-phenyl}-piperidin-1-yl-methanone
CID 44402585

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone (CID 11166272) is [2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone is COc1cccc(C(=O)N2CCCC2)c1OCc1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is HYAZLEWRQQTIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-27-19-6-4-5-18(22(26)25-11-2-3-12-25)20(19)28-13-17-14-29-21(24-17)15-7-9-16(23)10-8-15/h4-10,14H,2-3,11-13H2,1H3.
What are the key properties of [2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone?
[2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 428.94 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 11166272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).