(2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide

C18H23N3OS — CID 52533622

IUPAC(2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESCCc1nc(NC(=O)[C@@H](c2ccccc2)N2CCCC2)sc1C
InChIInChI=1S/C18H23N3OS/c1-3-15-13(2)23-18(19-15)20-17(22)16(21-11-7-8-12-21)14-9-5-4-6-10-14/h4-6,9-10,16H,3,7-8,11-12H2,1-2H3,(H,19,20,22)/t16-/m1/s1
InChIKeyFAPCKXUHOUBXDU-MRXNPFEDSA-N
MW329.47 g/mol
LogP3.79
Rot. Bonds5

About (2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide

(2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide (PubChem CID 52533622) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name(2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide
PubChem CID52533622
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESCCc1nc(NC(=O)[C@@H](c2ccccc2)N2CCCC2)sc1C
InChIInChI=1S/C18H23N3OS/c1-3-15-13(2)23-18(19-15)20-17(22)16(21-11-7-8-12-21)14-9-5-4-6-10-14/h4-6,9-10,16H,3,7-8,11-12H2,1-2H3,(H,19,20,22)/t16-/m1/s1
InChIKeyFAPCKXUHOUBXDU-MRXNPFEDSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 51135603
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 61474639
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide;hydrochloride
CID 119295899
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride
CID 119735287
2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 62877198
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47074211
(3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81119979
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide
CID 46952064
(2S)-N-methyl-2-phenyl-2-piperidin-1-ylacetamide
CID 67962694
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 26551632
2-phenyl-N-(5-phenyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide
CID 56573846
2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide
CID 86886985

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of (2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide (CID 52533622) is (2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for (2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for (2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide is CCc1nc(NC(=O)[C@@H](c2ccccc2)N2CCCC2)sc1C.
What is the InChIKey of (2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is FAPCKXUHOUBXDU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-3-15-13(2)23-18(19-15)20-17(22)16(21-11-7-8-12-21)14-9-5-4-6-10-14/h4-6,9-10,16H,3,7-8,11-12H2,1-2H3,(H,19,20,22)/t16-/m1/s1.
What are the key properties of (2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide?
(2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 329.47 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 52533622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).