2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-one

C8H11N3O2S — CID 168660128

IUPAC2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-one
SMILESNCC1CC(=O)N(C2=NC(=O)CS2)C1
InChIInChI=1S/C8H11N3O2S/c9-2-5-1-7(13)11(3-5)8-10-6(12)4-14-8/h5H,1-4,9H2
InChIKeyVPKYUPXMRKVFQC-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.58
Rot. Bonds1

About 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-one

2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-one (PubChem CID 168660128) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-one
PubChem CID168660128
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-one
SMILESNCC1CC(=O)N(C2=NC(=O)CS2)C1
InChIInChI=1S/C8H11N3O2S/c9-2-5-1-7(13)11(3-5)8-10-6(12)4-14-8/h5H,1-4,9H2
InChIKeyVPKYUPXMRKVFQC-UHFFFAOYSA-N
XLogP-0.58
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
CID 168660467
4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one
CID 168661037
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066
4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one
CID 168659187
4-(aminomethyl)-1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168659751
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 168661364
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 168661425
1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660638
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168661169
1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661138
4-(aminomethyl)-1-[3,5-bis(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168661123

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-one?
The IUPAC name of 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-one (CID 168660128) is 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-one?
The canonical SMILES for 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-one is NCC1CC(=O)N(C2=NC(=O)CS2)C1.
What is the InChIKey of 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-one?
The InChIKey is VPKYUPXMRKVFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c9-2-5-1-7(13)11(3-5)8-10-6(12)4-14-8/h5H,1-4,9H2.
What are the key properties of 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-one?
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-one has a molecular weight of 213.26 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-one is sourced from PubChem (CID 168660128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).