N-[4-[[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)acetamide

C22H27ClN4O2S — CID 71909188

IUPACN-[4-[[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)acetamide
SMILESCC(=O)N(c1cccc(Cl)c1)c1nc(CN2CCCC2C2CCCN2C(C)=O)cs1
InChIInChI=1S/C22H27ClN4O2S/c1-15(28)26-11-5-9-21(26)20-8-4-10-25(20)13-18-14-30-22(24-18)27(16(2)29)19-7-3-6-17(23)12-19/h3,6-7,12,14,20-21H,4-5,8-11,13H2,1-2H3
InChIKeyKPWUQYDPWJNTPK-UHFFFAOYSA-N
MW447.00 g/mol
LogP4.46
Rot. Bonds5

About N-[4-[[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)acetamide

N-[4-[[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)acetamide (PubChem CID 71909188) has the molecular formula C22H27ClN4O2S and a molecular weight of 447.00 g/mol. Its IUPAC name is N-[4-[[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)acetamide
PubChem CID71909188
Molecular FormulaC22H27ClN4O2S
Molecular Weight447.00 g/mol
Exact Mass446.15
IUPAC NameN-[4-[[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)acetamide
SMILESCC(=O)N(c1cccc(Cl)c1)c1nc(CN2CCCC2C2CCCN2C(C)=O)cs1
InChIInChI=1S/C22H27ClN4O2S/c1-15(28)26-11-5-9-21(26)20-8-4-10-25(20)13-18-14-30-22(24-18)27(16(2)29)19-7-3-6-17(23)12-19/h3,6-7,12,14,20-21H,4-5,8-11,13H2,1-2H3
InChIKeyKPWUQYDPWJNTPK-UHFFFAOYSA-N
XLogP4.46
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.00
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)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-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-N-(3,4-dichlorophenyl)acetamide
CID 8432259
N-(4-{[(4-chlorophenyl)carbamoyl]methyl}-1,3-thiazol-2-yl)-N-[3-(dimethylamino)propyl]propanamide hydrochloride
CID 16189277
2-(2-(3-(3-chlorophenyl)ureido)thiazol-4-yl)-N-cyclopentylacetamide
CID 18567614
1-(3-Chlorophenyl)-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea
CID 49792761
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-1,3-thiazole-4-carboxamide
CID 53161124
1-[4-(4-Butylpiperazine-1-carbonyl)-1,3-thiazol-2-YL]-4-(3-chlorophenyl)piperazine
CID 71840344
1-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 45905054
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 53161118
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethyl-1,3-thiazole-4-carboxamide
CID 71840340
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-propyl-1,3-thiazole-4-carboxamide
CID 71840346
N-(4-(2-(4-(3-chlorophenyl)piperazin-1-yl)-2-oxoethyl)thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 16881376
N-(4-{2-[4-(m-chlorophenyl)-1-piperazinyl]-2-oxoethyl}-1,3-thiazol-2-yl)-(S)-5-oxo-2-pyrrolidinecarboxamide
CID 25409040

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)acetamide?
The IUPAC name of N-[4-[[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)acetamide (CID 71909188) is N-[4-[[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-[4-[[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for N-[4-[[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)acetamide is CC(=O)N(c1cccc(Cl)c1)c1nc(CN2CCCC2C2CCCN2C(C)=O)cs1.
What is the InChIKey of N-[4-[[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)acetamide?
The InChIKey is KPWUQYDPWJNTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2S/c1-15(28)26-11-5-9-21(26)20-8-4-10-25(20)13-18-14-30-22(24-18)27(16(2)29)19-7-3-6-17(23)12-19/h3,6-7,12,14,20-21H,4-5,8-11,13H2,1-2H3.
What are the key properties of N-[4-[[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)acetamide?
N-[4-[[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)acetamide has a molecular weight of 447.00 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 71909188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).