methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate

C13H18N2O4S — CID 106697961

IUPACmethyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(C)C2CCOC2C)sc1C(C)=O
InChIInChI=1S/C13H18N2O4S/c1-7(16)11-10(12(17)18-4)14-13(20-11)15(3)9-5-6-19-8(9)2/h8-9H,5-6H2,1-4H3
InChIKeyGIKCVMTYYUNZHD-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.75
Rot. Bonds4

About methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate

methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 106697961) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
PubChem CID106697961
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Namemethyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(C)C2CCOC2C)sc1C(C)=O
InChIInChI=1S/C13H18N2O4S/c1-7(16)11-10(12(17)18-4)14-13(20-11)15(3)9-5-6-19-8(9)2/h8-9H,5-6H2,1-4H3
InChIKeyGIKCVMTYYUNZHD-UHFFFAOYSA-N
XLogP1.75
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate (CID 106697961) is methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N(C)C2CCOC2C)sc1C(C)=O.
What is the InChIKey of methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is GIKCVMTYYUNZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-7(16)11-10(12(17)18-4)14-13(20-11)15(3)9-5-6-19-8(9)2/h8-9H,5-6H2,1-4H3.
What are the key properties of methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate?
methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 298.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106697961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).