3-[(3-amino-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one

C8H12N4OS — CID 106259071

IUPAC3-[(3-amino-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2cc(N)ns2)C1=O
InChIInChI=1S/C8H12N4OS/c1-12-3-2-5(8(12)13)10-7-4-6(9)11-14-7/h4-5,10H,2-3H2,1H3,(H2,9,11)
InChIKeyKVEMAUSYKZPELR-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.37
Rot. Bonds2

About 3-[(3-amino-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one

3-[(3-amino-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one (PubChem CID 106259071) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 3-[(3-amino-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3-amino-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one
PubChem CID106259071
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name3-[(3-amino-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2cc(N)ns2)C1=O
InChIInChI=1S/C8H12N4OS/c1-12-3-2-5(8(12)13)10-7-4-6(9)11-14-7/h4-5,10H,2-3H2,1H3,(H2,9,11)
InChIKeyKVEMAUSYKZPELR-UHFFFAOYSA-N
XLogP0.37
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(3-amino-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one (CID 106259071) is 3-[(3-amino-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(3-amino-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(3-amino-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one is CN1CCC(Nc2cc(N)ns2)C1=O.
What is the InChIKey of 3-[(3-amino-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is KVEMAUSYKZPELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-12-3-2-5(8(12)13)10-7-4-6(9)11-14-7/h4-5,10H,2-3H2,1H3,(H2,9,11).
What are the key properties of 3-[(3-amino-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one?
3-[(3-amino-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 212.28 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106259071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).