methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate

C7H9ClN2O4S2 — CID 43455906

IUPACmethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C7H9ClN2O4S2/c1-10(4-5(11)14-2)16(12,13)6-3-9-7(8)15-6/h3H,4H2,1-2H3
InChIKeyUGSPKFFWTYGPER-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.59
Rot. Bonds4

About methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate

methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate (PubChem CID 43455906) has the molecular formula C7H9ClN2O4S2 and a molecular weight of 284.75 g/mol. Its IUPAC name is methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
PubChem CID43455906
Molecular FormulaC7H9ClN2O4S2
Molecular Weight284.75 g/mol
Exact Mass283.97
IUPAC Namemethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C7H9ClN2O4S2/c1-10(4-5(11)14-2)16(12,13)6-3-9-7(8)15-6/h3H,4H2,1-2H3
InChIKeyUGSPKFFWTYGPER-UHFFFAOYSA-N
XLogP0.59
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 5-(chlorosulfonyl)thiazole-2-carboxylate
CID 168898841
[(2-Amino-thiazole-5-sulfonyl)-methyl-amino]-acetic acid methyl ester
CID 86630193
Methyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate
CID 90758859
Ethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate
CID 91546457
ethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate
CID 123468241
methyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate
CID 123901324
Methyl 5-methylsulfinyl-1,3-thiazole-2-carboxylate
CID 168792312
Methyl 5-(ethylsulfamoyl)-1,3-thiazole-2-carboxylate
CID 169933873
Ethane;methyl 5-methylsulfonyl-1,3-thiazole-2-carboxylate
CID 176706752
2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide
CID 43455775
Methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetate
CID 43455794
Ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanoate
CID 54960441

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
The IUPAC name of methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate (CID 43455906) is methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate is COC(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
The InChIKey is UGSPKFFWTYGPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O4S2/c1-10(4-5(11)14-2)16(12,13)6-3-9-7(8)15-6/h3H,4H2,1-2H3.
What are the key properties of methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate has a molecular weight of 284.75 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 43455906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).