2-chloro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]acetamide

C8H9ClN2O2S — CID 66568987

IUPAC2-chloro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCN(CC(=O)c1nccs1)C(=O)CCl
InChIInChI=1S/C8H9ClN2O2S/c1-11(7(13)4-9)5-6(12)8-10-2-3-14-8/h2-3H,4-5H2,1H3
InChIKeyDWHGRHUESATILB-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.02
Rot. Bonds4

About 2-chloro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]acetamide

2-chloro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 66568987) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID66568987
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Name2-chloro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCN(CC(=O)c1nccs1)C(=O)CCl
InChIInChI=1S/C8H9ClN2O2S/c1-11(7(13)4-9)5-6(12)8-10-2-3-14-8/h2-3H,4-5H2,1H3
InChIKeyDWHGRHUESATILB-UHFFFAOYSA-N
XLogP1.02
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(1,3-thiazol-2-yl)ethanone
CID 22498777
2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid
CID 66568664
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone
CID 71641614
2-(2-hydroxyethylamino)-1-(1,3-thiazol-2-yl)ethanone
CID 66568954
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
hydroxymethyl 1,3-thiazole-2-carboxylate
CID 145074713
4,4-difluoro-1-(1,3-thiazol-2-yl)butane-1,3-dione
CID 64993249
2-[(2-chloroacetyl)-methylamino]acetamide
CID 19981542
CID 69459233
CID 69459233
[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]thiourea
CID 170262385
N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-ynamide
CID 130614901
ethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide
CID 159602190

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]acetamide (CID 66568987) is 2-chloro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]acetamide is CN(CC(=O)c1nccs1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is DWHGRHUESATILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c1-11(7(13)4-9)5-6(12)8-10-2-3-14-8/h2-3H,4-5H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]acetamide?
2-chloro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 232.69 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 66568987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).