4-(chloromethyl)-1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidin-2-one

C11H14ClN3OS — CID 168509610

IUPAC4-(chloromethyl)-1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1nc2c(s1)CNCC2
InChIInChI=1S/C11H14ClN3OS/c12-4-7-3-10(16)15(6-7)11-14-8-1-2-13-5-9(8)17-11/h7,13H,1-6H2
InChIKeyYFCZDFUNBIMWEA-UHFFFAOYSA-N
MW271.77 g/mol
LogP1.38
Rot. Bonds2

About 4-(chloromethyl)-1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidin-2-one

4-(chloromethyl)-1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidin-2-one (PubChem CID 168509610) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidin-2-one
PubChem CID168509610
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name4-(chloromethyl)-1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1nc2c(s1)CNCC2
InChIInChI=1S/C11H14ClN3OS/c12-4-7-3-10(16)15(6-7)11-14-8-1-2-13-5-9(8)17-11/h7,13H,1-6H2
InChIKeyYFCZDFUNBIMWEA-UHFFFAOYSA-N
XLogP1.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(chloromethyl)-1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-amino-1,3,4-thiadiazol-2-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509740
1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrole-2,5-dione
CID 61349400
ethyl 2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1,3-thiazole-4-carboxylate
CID 168507161
4-(chloromethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168507489
4-(chloromethyl)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168509574
4-(chloromethyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 168509727
3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-1,2,4-triazole-5-carboxylic acid
CID 168509602
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethynylpyrrolidin-2-one
CID 168502966
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710696
1-(5-chloro-4-methyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662706
1-(5-amino-2-chloropyrimidin-4-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509113
4-(chloromethyl)-1-(2-chloro-4-methylpyrimidin-5-yl)pyrrolidin-2-one
CID 168507867

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidin-2-one (CID 168509610) is 4-(chloromethyl)-1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1nc2c(s1)CNCC2.
What is the InChIKey of 4-(chloromethyl)-1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidin-2-one?
The InChIKey is YFCZDFUNBIMWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c12-4-7-3-10(16)15(6-7)11-14-8-1-2-13-5-9(8)17-11/h7,13H,1-6H2.
What are the key properties of 4-(chloromethyl)-1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidin-2-one?
4-(chloromethyl)-1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidin-2-one has a molecular weight of 271.77 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168509610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).