2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

C23H22ClN3O2S — CID 43043523

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H22ClN3O2S/c24-20-6-2-1-5-19(20)22-26-18(15-30-22)13-21(28)25-14-16-7-9-17(10-8-16)23(29)27-11-3-4-12-27/h1-2,5-10,15H,3-4,11-14H2,(H,25,28)
InChIKeyIREYNZUJWKHRCE-UHFFFAOYSA-N
MW439.97 g/mol
LogP4.56
Rot. Bonds6

About 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 43043523) has the molecular formula C23H22ClN3O2S and a molecular weight of 439.97 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID43043523
Molecular FormulaC23H22ClN3O2S
Molecular Weight439.97 g/mol
Exact Mass439.11
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H22ClN3O2S/c24-20-6-2-1-5-19(20)22-26-18(15-30-22)13-21(28)25-14-16-7-9-17(10-8-16)23(29)27-11-3-4-12-27/h1-2,5-10,15H,3-4,11-14H2,(H,25,28)
InChIKeyIREYNZUJWKHRCE-UHFFFAOYSA-N
XLogP4.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.97
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 36607706
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 25343258
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 36675806
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 99171388
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 35852342
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 78867437
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119406639
N-(2-amino-2-methylpropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119627873
2-(2-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159675
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825809
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 24516052

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (CID 43043523) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is O=C(Cc1csc(-c2ccccc2Cl)n1)NCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is IREYNZUJWKHRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2S/c24-20-6-2-1-5-19(20)22-26-18(15-30-22)13-21(28)25-14-16-7-9-17(10-8-16)23(29)27-11-3-4-12-27/h1-2,5-10,15H,3-4,11-14H2,(H,25,28).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 439.97 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 43043523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).