N-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide

C18H21N3O2S — CID 94671551

IUPACN-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCC[C@H]2CCc2ccccc2)cs1
InChIInChI=1S/C18H21N3O2S/c1-13(22)19-18-20-16(12-24-18)17(23)21-11-5-8-15(21)10-9-14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,19,20,22)/t15-/m0/s1
InChIKeyXGXQMRDELXEGIN-HNNXBMFYSA-N
MW343.45 g/mol
LogP3.34
Rot. Bonds5

About N-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide

N-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 94671551) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
PubChem CID94671551
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCC[C@H]2CCc2ccccc2)cs1
InChIInChI=1S/C18H21N3O2S/c1-13(22)19-18-20-16(12-24-18)17(23)21-11-5-8-15(21)10-9-14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,19,20,22)/t15-/m0/s1
InChIKeyXGXQMRDELXEGIN-HNNXBMFYSA-N
XLogP3.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 84556029
(2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone
CID 62786689
methyl 1-(2-acetamido-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylate
CID 43623809
(2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 66264126
N-[4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 94166760
N-[4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 110219149
methyl 6-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylate
CID 87046966
[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 70764538
3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65199299
[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 71685067
1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 94616102
(2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 70724327

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide (CID 94671551) is N-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)N2CCC[C@H]2CCc2ccccc2)cs1.
What is the InChIKey of N-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XGXQMRDELXEGIN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13(22)19-18-20-16(12-24-18)17(23)21-11-5-8-15(21)10-9-14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,19,20,22)/t15-/m0/s1.
What are the key properties of N-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 94671551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).