methyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate

C10H16N2O4S2 — CID 113337732

IUPACmethyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(C)C)S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C10H16N2O4S2/c1-7(2)12(6-9(13)16-4)18(14,15)10-5-11-8(3)17-10/h5,7H,6H2,1-4H3
InChIKeyWLRTZBOWBLOYSN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.02
Rot. Bonds5

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

methyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate (PubChem CID 113337732) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate
PubChem CID113337732
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Namemethyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(C)C)S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C10H16N2O4S2/c1-7(2)12(6-9(13)16-4)18(14,15)10-5-11-8(3)17-10/h5,7H,6H2,1-4H3
InChIKeyWLRTZBOWBLOYSN-UHFFFAOYSA-N
XLogP1.02
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 5-(chlorosulfonyl)thiazole-2-carboxylate
CID 168898841
2-[(2-Methyl-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 104937138
Methyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate
CID 90758859
methyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1,3-thiazole-2-carboxylate
CID 168792530
Methyl 5-(ethylsulfamoyl)-1,3-thiazole-2-carboxylate
CID 169933873
Ethane;methyl 5-methylsulfonyl-1,3-thiazole-2-carboxylate
CID 176706752
Methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
CID 43455906
Ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanoate
CID 54960441
Ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
CID 54969412
Methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate
CID 54998123
N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide
CID 55000387
Ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate
CID 55001115

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate (CID 113337732) is methyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate is COC(=O)CN(C(C)C)S(=O)(=O)c1cnc(C)s1.
What is the InChIKey of methyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate?
The InChIKey is WLRTZBOWBLOYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-7(2)12(6-9(13)16-4)18(14,15)10-5-11-8(3)17-10/h5,7H,6H2,1-4H3.
What are the key properties of methyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate?
methyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate has a molecular weight of 292.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate is sourced from PubChem (CID 113337732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).