2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide

C7H7ClN2O2S — CID 54546949

IUPAC2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=CCc1csc(NC(=O)CCl)n1
InChIInChI=1S/C7H7ClN2O2S/c8-3-6(12)10-7-9-5(1-2-11)4-13-7/h2,4H,1,3H2,(H,9,10,12)
InChIKeyNVMVTLNZHOGKFG-UHFFFAOYSA-N
MW218.66 g/mol
LogP1.06
Rot. Bonds4

About 2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide

2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 54546949) has the molecular formula C7H7ClN2O2S and a molecular weight of 218.66 g/mol. Its IUPAC name is 2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID54546949
Molecular FormulaC7H7ClN2O2S
Molecular Weight218.66 g/mol
Exact Mass217.99
IUPAC Name2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=CCc1csc(NC(=O)CCl)n1
InChIInChI=1S/C7H7ClN2O2S/c8-3-6(12)10-7-9-5(1-2-11)4-13-7/h2,4H,1,3H2,(H,9,10,12)
InChIKeyNVMVTLNZHOGKFG-UHFFFAOYSA-N
XLogP1.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide
CID 123465394
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016
2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoacetic acid
CID 13323080
2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-N-(2-oxoazetidin-3-yl)acetamide
CID 13212056
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide
CID 103164434
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 43140266
N-(4-ethyl-1,3-thiazol-2-yl)butanamide
CID 87065374
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde
CID 123698759
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4202014
2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 108745925
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)acetamide
CID 108745935

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide (CID 54546949) is 2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide is O=CCc1csc(NC(=O)CCl)n1.
What is the InChIKey of 2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is NVMVTLNZHOGKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2S/c8-3-6(12)10-7-9-5(1-2-11)4-13-7/h2,4H,1,3H2,(H,9,10,12).
What are the key properties of 2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide?
2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 218.66 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 54546949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).