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

C8H10ClN3OS — CID 131097833

IUPAC4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CC(CNc2nc(Cl)cs2)CN1
InChIInChI=1S/C8H10ClN3OS/c9-6-4-14-8(12-6)11-3-5-1-7(13)10-2-5/h4-5H,1-3H2,(H,10,13)(H,11,12)
InChIKeyFTSGHEIVOYTKEH-UHFFFAOYSA-N
MW231.71 g/mol
LogP1.34
Rot. Bonds3

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

4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 131097833) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pyrrolidin-2-one
PubChem CID131097833
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC Name4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CC(CNc2nc(Cl)cs2)CN1
InChIInChI=1S/C8H10ClN3OS/c9-6-4-14-8(12-6)11-3-5-1-7(13)10-2-5/h4-5H,1-3H2,(H,10,13)(H,11,12)
InChIKeyFTSGHEIVOYTKEH-UHFFFAOYSA-N
XLogP1.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pyrrolidin-2-one (CID 131097833) is 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pyrrolidin-2-one is O=C1CC(CNc2nc(Cl)cs2)CN1.
What is the InChIKey of 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is FTSGHEIVOYTKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3OS/c9-6-4-14-8(12-6)11-3-5-1-7(13)10-2-5/h4-5H,1-3H2,(H,10,13)(H,11,12).
What are the key properties of 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pyrrolidin-2-one?
4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 231.71 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 131097833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).