1-methyl-4-(1,3-thiazol-5-ylmethylamino)pyrrolidin-2-one

C9H13N3OS — CID 130163196

IUPAC1-methyl-4-(1,3-thiazol-5-ylmethylamino)pyrrolidin-2-one
SMILESCN1CC(NCc2cncs2)CC1=O
InChIInChI=1S/C9H13N3OS/c1-12-5-7(2-9(12)13)11-4-8-3-10-6-14-8/h3,6-7,11H,2,4-5H2,1H3
InChIKeyWINUGWGLNLHNGK-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.46
Rot. Bonds3

About 1-methyl-4-(1,3-thiazol-5-ylmethylamino)pyrrolidin-2-one

1-methyl-4-(1,3-thiazol-5-ylmethylamino)pyrrolidin-2-one (PubChem CID 130163196) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-methyl-4-(1,3-thiazol-5-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(1,3-thiazol-5-ylmethylamino)pyrrolidin-2-one
PubChem CID130163196
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name1-methyl-4-(1,3-thiazol-5-ylmethylamino)pyrrolidin-2-one
SMILESCN1CC(NCc2cncs2)CC1=O
InChIInChI=1S/C9H13N3OS/c1-12-5-7(2-9(12)13)11-4-8-3-10-6-14-8/h3,6-7,11H,2,4-5H2,1H3
InChIKeyWINUGWGLNLHNGK-UHFFFAOYSA-N
XLogP0.46
TPSA45.23 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 ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,3-thiazol-5-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-(1,3-thiazol-5-ylmethylamino)pyrrolidin-2-one (CID 130163196) is 1-methyl-4-(1,3-thiazol-5-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-(1,3-thiazol-5-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-(1,3-thiazol-5-ylmethylamino)pyrrolidin-2-one is CN1CC(NCc2cncs2)CC1=O.
What is the InChIKey of 1-methyl-4-(1,3-thiazol-5-ylmethylamino)pyrrolidin-2-one?
The InChIKey is WINUGWGLNLHNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-12-5-7(2-9(12)13)11-4-8-3-10-6-14-8/h3,6-7,11H,2,4-5H2,1H3.
What are the key properties of 1-methyl-4-(1,3-thiazol-5-ylmethylamino)pyrrolidin-2-one?
1-methyl-4-(1,3-thiazol-5-ylmethylamino)pyrrolidin-2-one has a molecular weight of 211.29 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,3-thiazol-5-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 130163196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).