methyl 5-[(3-methoxy-3-oxopropyl)amino]-3-methyl-1,2-thiazole-4-carboxylate

C10H14N2O4S — CID 134278281

IUPACmethyl 5-[(3-methoxy-3-oxopropyl)amino]-3-methyl-1,2-thiazole-4-carboxylate
SMILESCOC(=O)CCNc1snc(C)c1C(=O)OC
InChIInChI=1S/C10H14N2O4S/c1-6-8(10(14)16-3)9(17-12-6)11-5-4-7(13)15-2/h11H,4-5H2,1-3H3
InChIKeyACXZNEZMCMXUDX-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.21
Rot. Bonds5

About methyl 5-[(3-methoxy-3-oxopropyl)amino]-3-methyl-1,2-thiazole-4-carboxylate

methyl 5-[(3-methoxy-3-oxopropyl)amino]-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 134278281) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 5-[(3-methoxy-3-oxopropyl)amino]-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-methoxy-3-oxopropyl)amino]-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID134278281
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl 5-[(3-methoxy-3-oxopropyl)amino]-3-methyl-1,2-thiazole-4-carboxylate
SMILESCOC(=O)CCNc1snc(C)c1C(=O)OC
InChIInChI=1S/C10H14N2O4S/c1-6-8(10(14)16-3)9(17-12-6)11-5-4-7(13)15-2/h11H,4-5H2,1-3H3
InChIKeyACXZNEZMCMXUDX-UHFFFAOYSA-N
XLogP1.21
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-methoxy-3-oxopropyl)amino]-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[(3-methoxy-3-oxopropyl)amino]-3-methyl-1,2-thiazole-4-carboxylate (CID 134278281) is methyl 5-[(3-methoxy-3-oxopropyl)amino]-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[(3-methoxy-3-oxopropyl)amino]-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[(3-methoxy-3-oxopropyl)amino]-3-methyl-1,2-thiazole-4-carboxylate is COC(=O)CCNc1snc(C)c1C(=O)OC.
What is the InChIKey of methyl 5-[(3-methoxy-3-oxopropyl)amino]-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is ACXZNEZMCMXUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-6-8(10(14)16-3)9(17-12-6)11-5-4-7(13)15-2/h11H,4-5H2,1-3H3.
What are the key properties of methyl 5-[(3-methoxy-3-oxopropyl)amino]-3-methyl-1,2-thiazole-4-carboxylate?
methyl 5-[(3-methoxy-3-oxopropyl)amino]-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 258.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-methoxy-3-oxopropyl)amino]-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 134278281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).