(2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone

C15H17N3OS — CID 62786689

IUPAC(2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone
SMILESNc1nc(C(=O)N2CCCC2Cc2ccccc2)cs1
InChIInChI=1S/C15H17N3OS/c16-15-17-13(10-20-15)14(19)18-8-4-7-12(18)9-11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H2,16,17)
InChIKeyZYHCTRLIKAMBPU-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.57
Rot. Bonds3

About (2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone

(2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone (PubChem CID 62786689) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone
PubChem CID62786689
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name(2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone
SMILESNc1nc(C(=O)N2CCCC2Cc2ccccc2)cs1
InChIInChI=1S/C15H17N3OS/c16-15-17-13(10-20-15)14(19)18-8-4-7-12(18)9-11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H2,16,17)
InChIKeyZYHCTRLIKAMBPU-UHFFFAOYSA-N
XLogP2.57
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 62787051
N-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 94671551
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(hydroxymethyl)-1,3-thiazol-4-yl]methanone
CID 126839363
[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 56820329
(2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42940211
[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 71685067
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
(4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone
CID 61106055
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 119816948
3-(2-benzylpyrrolidine-1-carbonyl)-5,6-dihydro-4H-1-benzothiophen-7-one
CID 91111967
(2-benzylpyrrolidin-1-yl)-(4-chloro-3-pyridinyl)methanone
CID 81230967
methyl 5-(2-benzylpyrrolidine-1-carbonyl)thiophene-2-carboxylate
CID 134050453

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone (CID 62786689) is (2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone is Nc1nc(C(=O)N2CCCC2Cc2ccccc2)cs1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone?
The InChIKey is ZYHCTRLIKAMBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c16-15-17-13(10-20-15)14(19)18-8-4-7-12(18)9-11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H2,16,17).
What are the key properties of (2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone?
(2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone has a molecular weight of 287.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62786689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).