1-chloro-3-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-2-one

C8H14ClNOS — CID 86300737

IUPAC1-chloro-3-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-2-one
SMILESCC1(C)SCCN1CC(=O)CCl
InChIInChI=1S/C8H14ClNOS/c1-8(2)10(3-4-12-8)6-7(11)5-9/h3-6H2,1-2H3
InChIKeyIUMQXYDWZMYXCZ-UHFFFAOYSA-N
MW207.73 g/mol
LogP1.58
Rot. Bonds3

About 1-chloro-3-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-2-one

1-chloro-3-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-2-one (PubChem CID 86300737) has the molecular formula C8H14ClNOS and a molecular weight of 207.73 g/mol. Its IUPAC name is 1-chloro-3-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-chloro-3-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-2-one
PubChem CID86300737
Molecular FormulaC8H14ClNOS
Molecular Weight207.73 g/mol
Exact Mass207.05
IUPAC Name1-chloro-3-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-2-one
SMILESCC1(C)SCCN1CC(=O)CCl
InChIInChI=1S/C8H14ClNOS/c1-8(2)10(3-4-12-8)6-7(11)5-9/h3-6H2,1-2H3
InChIKeyIUMQXYDWZMYXCZ-UHFFFAOYSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.73
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanone
CID 107453818
1-chloro-3-(2,2-dimethyl-1,3-thiazol-3-yl)propan-2-one
CID 174721431
1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one
CID 14149482
[4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone
CID 67892591
1,3-dichloropropan-2-one
CID 10793
2-(7,7-dimethyl-1,4-thiazepan-4-yl)acetamide
CID 107271958
3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine
CID 86300729
4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine
CID 130739907
6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one
CID 106801591
[3-(chloromethyl)azetidin-1-yl]-(2-methylthiolan-2-yl)methanone
CID 130531426
1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone
CID 110192132
1-(7,7-dimethyl-1,4-thiazepan-4-yl)pentane-1,4-dione
CID 107454936

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-2-one?
The IUPAC name of 1-chloro-3-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-2-one (CID 86300737) is 1-chloro-3-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-2-one.
What is the SMILES notation for 1-chloro-3-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-2-one?
The canonical SMILES for 1-chloro-3-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-2-one is CC1(C)SCCN1CC(=O)CCl.
What is the InChIKey of 1-chloro-3-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-2-one?
The InChIKey is IUMQXYDWZMYXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNOS/c1-8(2)10(3-4-12-8)6-7(11)5-9/h3-6H2,1-2H3.
What are the key properties of 1-chloro-3-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-2-one?
1-chloro-3-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-2-one has a molecular weight of 207.73 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-2-one is sourced from PubChem (CID 86300737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).