ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate

C10H12N2O5S2 — CID 138673871

IUPACethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C10H12N2O5S2/c1-2-17-9(14)8(13)7-5-18-10(11-7)12-19(15,16)6-3-4-6/h5-6H,2-4H2,1H3,(H,11,12)
InChIKeyQMGXXQNZELNSOQ-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.79
Rot. Bonds6

About ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate

ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate (PubChem CID 138673871) has the molecular formula C10H12N2O5S2 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate
PubChem CID138673871
Molecular FormulaC10H12N2O5S2
Molecular Weight304.35 g/mol
Exact Mass304.02
IUPAC Nameethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C10H12N2O5S2/c1-2-17-9(14)8(13)7-5-18-10(11-7)12-19(15,16)6-3-4-6/h5-6H,2-4H2,1H3,(H,11,12)
InChIKeyQMGXXQNZELNSOQ-UHFFFAOYSA-N
XLogP0.79
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate
CID 155760128
ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]butanoate
CID 138674013
N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide
CID 62999802
ethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 10137087
ethyl 2-[2-[(2,6-dimethylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 15053505
ethyl 2-[2-(2-methylbutan-2-yloxycarbonylamino)-1,3-thiazol-4-yl]-2-oxoacetate
CID 19978748
ethyl 2-[2-[3-(4-methylphenyl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 2444838
ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 15053496
ethyl 2-(cyclopropylsulfonylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 138673799
ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3-thiazole-4-carboxylate
CID 51108617
ethyl 2-[2-[(3-chlorophenyl)sulfanylcarbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 23047576
ethyl 2-[2-[[3-cyclopentyl-2-(4-nitrophenyl)propanoyl]amino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 54387059

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate (CID 138673871) is ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate is CCOC(=O)C(=O)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate?
The InChIKey is QMGXXQNZELNSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S2/c1-2-17-9(14)8(13)7-5-18-10(11-7)12-19(15,16)6-3-4-6/h5-6H,2-4H2,1H3,(H,11,12).
What are the key properties of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate?
ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate has a molecular weight of 304.35 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate is sourced from PubChem (CID 138673871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).