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

C8H11N3OS — CID 130159323

IUPAC1-methyl-4-(1,3-thiazol-2-ylamino)pyrrolidin-2-one
SMILESCN1CC(Nc2nccs2)CC1=O
InChIInChI=1S/C8H11N3OS/c1-11-5-6(4-7(11)12)10-8-9-2-3-13-8/h2-3,6H,4-5H2,1H3,(H,9,10)
InChIKeyDAIRBMXMORLOMT-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.79
Rot. Bonds2

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

1-methyl-4-(1,3-thiazol-2-ylamino)pyrrolidin-2-one (PubChem CID 130159323) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-methyl-4-(1,3-thiazol-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(1,3-thiazol-2-ylamino)pyrrolidin-2-one
PubChem CID130159323
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name1-methyl-4-(1,3-thiazol-2-ylamino)pyrrolidin-2-one
SMILESCN1CC(Nc2nccs2)CC1=O
InChIInChI=1S/C8H11N3OS/c1-11-5-6(4-7(11)12)10-8-9-2-3-13-8/h2-3,6H,4-5H2,1H3,(H,9,10)
InChIKeyDAIRBMXMORLOMT-UHFFFAOYSA-N
XLogP0.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.79
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-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-(1,3-thiazol-2-ylamino)pyrrolidin-2-one (CID 130159323) is 1-methyl-4-(1,3-thiazol-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-(1,3-thiazol-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-(1,3-thiazol-2-ylamino)pyrrolidin-2-one is CN1CC(Nc2nccs2)CC1=O.
What is the InChIKey of 1-methyl-4-(1,3-thiazol-2-ylamino)pyrrolidin-2-one?
The InChIKey is DAIRBMXMORLOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-11-5-6(4-7(11)12)10-8-9-2-3-13-8/h2-3,6H,4-5H2,1H3,(H,9,10).
What are the key properties of 1-methyl-4-(1,3-thiazol-2-ylamino)pyrrolidin-2-one?
1-methyl-4-(1,3-thiazol-2-ylamino)pyrrolidin-2-one has a molecular weight of 197.26 g/mol, XLogP of 0.79, 2 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-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 130159323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).