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

C11H10N2O3S2 — CID 10564841

IUPACmethyl 5-acetyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2csc(C)n2)sc1C(C)=O
InChIInChI=1S/C11H10N2O3S2/c1-5(14)9-8(11(15)16-3)13-10(18-9)7-4-17-6(2)12-7/h4H,1-3H3
InChIKeyVVRJWUVIDQHGRW-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.56
Rot. Bonds3

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

methyl 5-acetyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate (PubChem CID 10564841) has the molecular formula C11H10N2O3S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is methyl 5-acetyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate
PubChem CID10564841
Molecular FormulaC11H10N2O3S2
Molecular Weight282.35 g/mol
Exact Mass282.01
IUPAC Namemethyl 5-acetyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2csc(C)n2)sc1C(C)=O
InChIInChI=1S/C11H10N2O3S2/c1-5(14)9-8(11(15)16-3)13-10(18-9)7-4-17-6(2)12-7/h4H,1-3H3
InChIKeyVVRJWUVIDQHGRW-UHFFFAOYSA-N
XLogP2.56
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.56
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-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-acetyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate (CID 10564841) is methyl 5-acetyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-acetyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-acetyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2csc(C)n2)sc1C(C)=O.
What is the InChIKey of methyl 5-acetyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is VVRJWUVIDQHGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S2/c1-5(14)9-8(11(15)16-3)13-10(18-9)7-4-17-6(2)12-7/h4H,1-3H3.
What are the key properties of methyl 5-acetyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate?
methyl 5-acetyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 282.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 10564841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).