N-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide

C22H21N3O2S — CID 9420953

IUPACN-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(-c2cccc(N3CCCC3=O)c2)cs1
InChIInChI=1S/C22H21N3O2S/c1-15-6-2-3-9-18(15)23-20(26)13-21-24-19(14-28-21)16-7-4-8-17(12-16)25-11-5-10-22(25)27/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,23,26)
InChIKeyITJAHXBNZDMHRG-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.43
Rot. Bonds5

About N-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide

N-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 9420953) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID9420953
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC NameN-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(-c2cccc(N3CCCC3=O)c2)cs1
InChIInChI=1S/C22H21N3O2S/c1-15-6-2-3-9-18(15)23-20(26)13-21-24-19(14-28-21)16-7-4-8-17(12-16)25-11-5-10-22(25)27/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,23,26)
InChIKeyITJAHXBNZDMHRG-UHFFFAOYSA-N
XLogP4.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963676
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
CID 38170485
1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 9398580
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963664
2-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 17405571
N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963536
2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963723
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963701
2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 9343710
N-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide
CID 146038056
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 36597806
2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 2570787

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide (CID 9420953) is N-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide is Cc1ccccc1NC(=O)Cc1nc(-c2cccc(N3CCCC3=O)c2)cs1.
What is the InChIKey of N-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ITJAHXBNZDMHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-15-6-2-3-9-18(15)23-20(26)13-21-24-19(14-28-21)16-7-4-8-17(12-16)25-11-5-10-22(25)27/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,23,26).
What are the key properties of N-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide?
N-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 391.50 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 9420953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).