ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate

C8H9ClN2O3S — CID 83306355

IUPACethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(=O)CCl)s1
InChIInChI=1S/C8H9ClN2O3S/c1-2-14-7(13)5-4-10-8(15-5)11-6(12)3-9/h4H,2-3H2,1H3,(H,10,11,12)
InChIKeyBZJCEASAGNFBSP-UHFFFAOYSA-N
MW248.69 g/mol
LogP1.50
Rot. Bonds4

About ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate

ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 83306355) has the molecular formula C8H9ClN2O3S and a molecular weight of 248.69 g/mol. Its IUPAC name is ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID83306355
Molecular FormulaC8H9ClN2O3S
Molecular Weight248.69 g/mol
Exact Mass248.00
IUPAC Nameethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(=O)CCl)s1
InChIInChI=1S/C8H9ClN2O3S/c1-2-14-7(13)5-4-10-8(15-5)11-6(12)3-9/h4H,2-3H2,1H3,(H,10,11,12)
InChIKeyBZJCEASAGNFBSP-UHFFFAOYSA-N
XLogP1.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 57394846
ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate
CID 143301188
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 155176323
2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide
CID 166431986
ethyl 2-[2-(4-methoxyphenyl)butanoylamino]-1,3-thiazole-5-carboxylate
CID 86676947
ethyl 2-[(2-chloro-4-pyridinyl)methylamino]-1,3-thiazole-5-carboxylate
CID 154842535
ethyl 2-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 135474967
methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103773
ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate
CID 71425005
ethyl 2-ethylsulfanyl-1,3-thiazole-5-carboxylate
CID 173319674
2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide
CID 166432032

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate (CID 83306355) is ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(NC(=O)CCl)s1.
What is the InChIKey of ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is BZJCEASAGNFBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3S/c1-2-14-7(13)5-4-10-8(15-5)11-6(12)3-9/h4H,2-3H2,1H3,(H,10,11,12).
What are the key properties of ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 248.69 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 83306355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).