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

C9H12N2O4S — CID 115423220

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)CNc1nc(C(=O)OC)c(C)s1
InChIInChI=1S/C9H12N2O4S/c1-5-7(8(13)15-3)11-9(16-5)10-4-6(12)14-2/h4H2,1-3H3,(H,10,11)
InChIKeyVTRXALXMNITMLP-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.82
Rot. Bonds4

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

methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 115423220) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID115423220
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)CNc1nc(C(=O)OC)c(C)s1
InChIInChI=1S/C9H12N2O4S/c1-5-7(8(13)15-3)11-9(16-5)10-4-6(12)14-2/h4H2,1-3H3,(H,10,11)
InChIKeyVTRXALXMNITMLP-UHFFFAOYSA-N
XLogP0.82
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 130179602
methyl 5-methyl-2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 115423500
methyl 5-acetyl-2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazole-4-carboxylate
CID 106696783
methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423035
methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 106543880
methyl 2-[2-(carbamoylamino)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 83117228
methyl 5-methyl-2-(3-methylpentan-3-ylamino)-1,3-thiazole-4-carboxylate
CID 106331938
2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423658
methyl 5-methyl-2-(5-methylhexylamino)-1,3-thiazole-4-carboxylate
CID 113307344
methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423142
methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113307209
methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 106241502

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate (CID 115423220) is methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)CNc1nc(C(=O)OC)c(C)s1.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is VTRXALXMNITMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-5-7(8(13)15-3)11-9(16-5)10-4-6(12)14-2/h4H2,1-3H3,(H,10,11).
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 244.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115423220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).