methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate

C10H15ClN2O4S2 — CID 61047061

IUPACmethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C10H15ClN2O4S2/c1-4-5-13(6-8(14)17-3)19(15,16)9-7(2)12-10(11)18-9/h4-6H2,1-3H3
InChIKeyGFIHRLFWCAWTIN-UHFFFAOYSA-N
MW326.83 g/mol
LogP1.68
Rot. Bonds6

About methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate

methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate (PubChem CID 61047061) has the molecular formula C10H15ClN2O4S2 and a molecular weight of 326.83 g/mol. Its IUPAC name is methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate
PubChem CID61047061
Molecular FormulaC10H15ClN2O4S2
Molecular Weight326.83 g/mol
Exact Mass326.02
IUPAC Namemethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C10H15ClN2O4S2/c1-4-5-13(6-8(14)17-3)19(15,16)9-7(2)12-10(11)18-9/h4-6H2,1-3H3
InChIKeyGFIHRLFWCAWTIN-UHFFFAOYSA-N
XLogP1.68
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
CID 87417104
Methyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate
CID 91093303
4-[(2-Chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine
CID 43456060
Methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]acetate
CID 43456083
Methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
CID 43456185
Methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate
CID 43473956
2-chloro-N-ethyl-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 54948744
Ethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoate
CID 54960443
Ethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
CID 54969362
Methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate
CID 54998170
N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 55000334
Ethyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-ethylamino]acetate
CID 55001067

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate?
The IUPAC name of methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate (CID 61047061) is methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate?
The canonical SMILES for methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate is CCCN(CC(=O)OC)S(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate?
The InChIKey is GFIHRLFWCAWTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S2/c1-4-5-13(6-8(14)17-3)19(15,16)9-7(2)12-10(11)18-9/h4-6H2,1-3H3.
What are the key properties of methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate?
methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate has a molecular weight of 326.83 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate is sourced from PubChem (CID 61047061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).