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

C12H16N2O4S — CID 106697962

IUPACmethyl 5-acetyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(C)C2CCOC2)sc1C(C)=O
InChIInChI=1S/C12H16N2O4S/c1-7(15)10-9(11(16)17-3)13-12(19-10)14(2)8-4-5-18-6-8/h8H,4-6H2,1-3H3
InChIKeyWUMMWAYBZZJSBE-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.36
Rot. Bonds4

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

methyl 5-acetyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 106697962) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is methyl 5-acetyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
PubChem CID106697962
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Namemethyl 5-acetyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(C)C2CCOC2)sc1C(C)=O
InChIInChI=1S/C12H16N2O4S/c1-7(15)10-9(11(16)17-3)13-12(19-10)14(2)8-4-5-18-6-8/h8H,4-6H2,1-3H3
InChIKeyWUMMWAYBZZJSBE-UHFFFAOYSA-N
XLogP1.36
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate
CID 177178143
Ethyl 2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate
CID 177178181
Methyl 5-acetyl-2-[2-(2,2-difluoroethoxy)ethylamino]-1,3-thiazole-4-carboxylate
CID 105922915
Ethyl 5-acetyl-2-[2-(2,2-difluoroethoxy)ethylamino]-1,3-thiazole-4-carboxylate
CID 105922935
Methyl 5-acetyl-2-(4,4,4-trifluorobutan-2-ylamino)-1,3-thiazole-4-carboxylate
CID 105944865
Ethyl 5-acetyl-2-(4,4,4-trifluorobutan-2-ylamino)-1,3-thiazole-4-carboxylate
CID 105944881
Methyl 5-acetyl-2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate
CID 106296020
Ethyl 5-acetyl-2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate
CID 106296028
Methyl 5-acetyl-2-[2-(trifluoromethylsulfanyl)ethylamino]-1,3-thiazole-4-carboxylate
CID 106433864
Ethyl 5-acetyl-2-[2-(trifluoromethylsulfanyl)ethylamino]-1,3-thiazole-4-carboxylate
CID 106433873
Methyl 5-acetyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylate
CID 106697131
5-Acetyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697132

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-acetyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate (CID 106697962) is methyl 5-acetyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-acetyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-acetyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N(C)C2CCOC2)sc1C(C)=O.
What is the InChIKey of methyl 5-acetyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is WUMMWAYBZZJSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-7(15)10-9(11(16)17-3)13-12(19-10)14(2)8-4-5-18-6-8/h8H,4-6H2,1-3H3.
What are the key properties of methyl 5-acetyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate?
methyl 5-acetyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 284.34 g/mol, XLogP of 1.36, 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(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106697962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).