2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide

C6H7ClN2O2S — CID 166431986

IUPAC2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide
SMILESCOc1cnc(NC(=O)CCl)s1
InChIInChI=1S/C6H7ClN2O2S/c1-11-5-3-8-6(12-5)9-4(10)2-7/h3H,2H2,1H3,(H,8,9,10)
InChIKeyXBHPPLBGBYHKOO-UHFFFAOYSA-N
MW206.65 g/mol
LogP1.33
Rot. Bonds3

About 2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide

2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide (PubChem CID 166431986) has the molecular formula C6H7ClN2O2S and a molecular weight of 206.65 g/mol. Its IUPAC name is 2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide
PubChem CID166431986
Molecular FormulaC6H7ClN2O2S
Molecular Weight206.65 g/mol
Exact Mass205.99
IUPAC Name2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide
SMILESCOc1cnc(NC(=O)CCl)s1
InChIInChI=1S/C6H7ClN2O2S/c1-11-5-3-8-6(12-5)9-4(10)2-7/h3H,2H2,1H3,(H,8,9,10)
InChIKeyXBHPPLBGBYHKOO-UHFFFAOYSA-N
XLogP1.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate
CID 83306355
2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide
CID 166432032
1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea
CID 154834706
2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4769785
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16795655
1-(5-methoxy-1,3-thiazol-2-yl)-3-[(4-methylsulfonylcyclohexyl)methyl]urea
CID 138054346
2,2-difluoro-2-(5-fluoro-2-methylphenyl)-N-(5-methoxy-1,3-thiazol-2-yl)acetamide
CID 167813148
1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea
CID 136542648
4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092807
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
2-(2-fluorophenyl)-2-methoxy-N-(5-methoxy-1,3-thiazol-2-yl)propanamide
CID 122157915
1-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea
CID 171359661

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide (CID 166431986) is 2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide is COc1cnc(NC(=O)CCl)s1.
What is the InChIKey of 2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide?
The InChIKey is XBHPPLBGBYHKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S/c1-11-5-3-8-6(12-5)9-4(10)2-7/h3H,2H2,1H3,(H,8,9,10).
What are the key properties of 2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide?
2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide has a molecular weight of 206.65 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 166431986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).