N-[1-(3-chlorophenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide

C18H20ClN3O2S — CID 55582083

IUPACN-[1-(3-chlorophenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCC(NC(=O)Cc1csc(N2CCCC2=O)n1)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2S/c1-2-15(12-5-3-6-13(19)9-12)21-16(23)10-14-11-25-18(20-14)22-8-4-7-17(22)24/h3,5-6,9,11,15H,2,4,7-8,10H2,1H3,(H,21,23)
InChIKeyNKACARMLJOMXHP-UHFFFAOYSA-N
MW377.90 g/mol
LogP3.73
Rot. Bonds6

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

N-[1-(3-chlorophenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55582083) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID55582083
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC NameN-[1-(3-chlorophenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCC(NC(=O)Cc1csc(N2CCCC2=O)n1)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2S/c1-2-15(12-5-3-6-13(19)9-12)21-16(23)10-14-11-25-18(20-14)22-8-4-7-17(22)24/h3,5-6,9,11,15H,2,4,7-8,10H2,1H3,(H,21,23)
InChIKeyNKACARMLJOMXHP-UHFFFAOYSA-N
XLogP3.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55585745
N-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55582407
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 35066620
N-(1-amino-4-methylpentan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 119586884
N-(1-aminohexan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 119666520
N-[(2S)-1-methoxypropan-2-yl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 29354926
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 51211808
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 18200304
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 42353461
5-chloro-2-methoxy-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
CID 9278566
N-[2-(ethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9224963
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 18200509

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 55582083) is N-[1-(3-chlorophenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is CCC(NC(=O)Cc1csc(N2CCCC2=O)n1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is NKACARMLJOMXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-2-15(12-5-3-6-13(19)9-12)21-16(23)10-14-11-25-18(20-14)22-8-4-7-17(22)24/h3,5-6,9,11,15H,2,4,7-8,10H2,1H3,(H,21,23).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
N-[1-(3-chlorophenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 377.90 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55582083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).