methyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate

C12H20N2O4S2 — CID 138673546

IUPACmethyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)C(C)(C)c1csc(NS(=O)(=O)CC(C)C)n1
InChIInChI=1S/C12H20N2O4S2/c1-8(2)7-20(16,17)14-11-13-9(6-19-11)12(3,4)10(15)18-5/h6,8H,7H2,1-5H3,(H,13,14)
InChIKeyJAPPEZAZSWAVLB-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.99
Rot. Bonds6

About methyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate

methyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate (PubChem CID 138673546) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is methyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate
PubChem CID138673546
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC Namemethyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)C(C)(C)c1csc(NS(=O)(=O)CC(C)C)n1
InChIInChI=1S/C12H20N2O4S2/c1-8(2)7-20(16,17)14-11-13-9(6-19-11)12(3,4)10(15)18-5/h6,8H,7H2,1-5H3,(H,13,14)
InChIKeyJAPPEZAZSWAVLB-UHFFFAOYSA-N
XLogP1.99
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate
CID 130537394
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide
CID 64573299
ethyl 2-[2-[(2-methoxy-2-methylpropyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate
CID 104766936
2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369939
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropane-1-sulfonamide
CID 64572438
2-methyl-2-[2-(4-methylpentylamino)-1,3-thiazol-4-yl]propanoic acid
CID 113369963
methyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate
CID 112752454
methyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanoate
CID 116890141
methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate
CID 116890129
2-[2-(cyclobutylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 138673783
methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 112752462
methyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 112752355

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate (CID 138673546) is methyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate is COC(=O)C(C)(C)c1csc(NS(=O)(=O)CC(C)C)n1.
What is the InChIKey of methyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate?
The InChIKey is JAPPEZAZSWAVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-8(2)7-20(16,17)14-11-13-9(6-19-11)12(3,4)10(15)18-5/h6,8H,7H2,1-5H3,(H,13,14).
What are the key properties of methyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate?
methyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate has a molecular weight of 320.44 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 138673546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).