4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one

C9H13N3OS — CID 63824639

IUPAC4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(CCc2cscn2)C1
InChIInChI=1S/C9H13N3OS/c10-7-3-9(13)12(4-7)2-1-8-5-14-6-11-8/h5-7H,1-4,10H2
InChIKeyBQHUVTTWNQONNI-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.25
Rot. Bonds3

About 4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one

4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one (PubChem CID 63824639) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one
PubChem CID63824639
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(CCc2cscn2)C1
InChIInChI=1S/C9H13N3OS/c10-7-3-9(13)12(4-7)2-1-8-5-14-6-11-8/h5-7H,1-4,10H2
InChIKeyBQHUVTTWNQONNI-UHFFFAOYSA-N
XLogP0.25
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64956144
4-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 63824117
[5-oxo-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676693
4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one
CID 82158446
(4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
CID 97282055
1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-one
CID 63829576
4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168700170
4-amino-1-(7-aminoheptyl)pyrrolidin-2-one
CID 168700119
4-amino-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168698960
4-amino-1-[3-(4-propylphenyl)propyl]pyrrolidin-2-one
CID 112514796
4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride
CID 82021991
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669914

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one (CID 63824639) is 4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one is NC1CC(=O)N(CCc2cscn2)C1.
What is the InChIKey of 4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one?
The InChIKey is BQHUVTTWNQONNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c10-7-3-9(13)12(4-7)2-1-8-5-14-6-11-8/h5-7H,1-4,10H2.
What are the key properties of 4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one?
4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one has a molecular weight of 211.29 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 63824639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).