N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide

C18H21N3O2S — CID 136534273

IUPACN-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide
SMILESO=C(Cc1cncs1)NC1CCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C18H21N3O2S/c22-17(10-16-11-19-13-24-16)20-15-8-9-21(12-15)18(23)7-6-14-4-2-1-3-5-14/h1-5,11,13,15H,6-10,12H2,(H,20,22)
InChIKeyJZHOKSFPNKGQQB-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.04
Rot. Bonds6

About N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide

N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide (PubChem CID 136534273) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide
PubChem CID136534273
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide
SMILESO=C(Cc1cncs1)NC1CCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C18H21N3O2S/c22-17(10-16-11-19-13-24-16)20-15-8-9-21(12-15)18(23)7-6-14-4-2-1-3-5-14/h1-5,11,13,15H,6-10,12H2,(H,20,22)
InChIKeyJZHOKSFPNKGQQB-UHFFFAOYSA-N
XLogP2.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)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

2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide
CID 71854795
2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 119339216
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
7-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]heptanamide
CID 119810962
3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 95107492
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide
CID 119940150
1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 84596884
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940149
1-[3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 75379024
3-methyl-1-[[1-(3-phenylpropanoyl)pyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122006185
ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
CID 108566087
N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554270

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide (CID 136534273) is N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide is O=C(Cc1cncs1)NC1CCN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide?
The InChIKey is JZHOKSFPNKGQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17(10-16-11-19-13-24-16)20-15-8-9-21(12-15)18(23)7-6-14-4-2-1-3-5-14/h1-5,11,13,15H,6-10,12H2,(H,20,22).
What are the key properties of N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide?
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 136534273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).