methyl 5-acetyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-4-carboxylate

C12H11N3O4S — CID 106696568

IUPACmethyl 5-acetyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cc(OC)ncn2)sc1C(C)=O
InChIInChI=1S/C12H11N3O4S/c1-6(16)10-9(12(17)19-3)15-11(20-10)7-4-8(18-2)14-5-13-7/h4-5H,1-3H3
InChIKeyAVZVUMBQAJSWDO-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.60
Rot. Bonds4

About methyl 5-acetyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-4-carboxylate

methyl 5-acetyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-4-carboxylate (PubChem CID 106696568) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is methyl 5-acetyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-4-carboxylate
PubChem CID106696568
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Namemethyl 5-acetyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cc(OC)ncn2)sc1C(C)=O
InChIInChI=1S/C12H11N3O4S/c1-6(16)10-9(12(17)19-3)15-11(20-10)7-4-8(18-2)14-5-13-7/h4-5H,1-3H3
InChIKeyAVZVUMBQAJSWDO-UHFFFAOYSA-N
XLogP1.60
TPSA91.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 5-acetyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxylate
CID 106695998
methyl 5-acetyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylate
CID 106696597
methyl 5-acetyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 106695962
methyl 5-acetyl-2-(3,4-dihydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136889058
methyl 5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 136690605
methyl 5-acetyl-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 106696043
methyl 5-acetyl-2-(3-bromo-2-pyridinyl)-1,3-thiazole-4-carboxylate
CID 106696565
methyl 5-acetyl-2-(2-nitrophenyl)-1,3-thiazole-4-carboxylate
CID 106696548
methyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate
CID 106696532
methyl 5-acetyl-2-(2-bromo-4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 106696025
methyl 5-acetyl-2-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 106696460
1-[2-(6-methoxypyrimidin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 102952808

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-acetyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-4-carboxylate (CID 106696568) is methyl 5-acetyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-acetyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-acetyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2cc(OC)ncn2)sc1C(C)=O.
What is the InChIKey of methyl 5-acetyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is AVZVUMBQAJSWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-6(16)10-9(12(17)19-3)15-11(20-10)7-4-8(18-2)14-5-13-7/h4-5H,1-3H3.
What are the key properties of methyl 5-acetyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-4-carboxylate?
methyl 5-acetyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 293.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106696568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).