(4-methoxycarbonylphenyl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate

C15H15NO4S — CID 7469399

IUPAC(4-methoxycarbonylphenyl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2sc(C)nc2C)cc1
InChIInChI=1S/C15H15NO4S/c1-9-13(21-10(2)16-9)15(18)20-8-11-4-6-12(7-5-11)14(17)19-3/h4-7H,8H2,1-3H3
InChIKeyKJUIDRJPUCGTLO-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.90
Rot. Bonds4

About (4-methoxycarbonylphenyl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate

(4-methoxycarbonylphenyl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 7469399) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID7469399
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name(4-methoxycarbonylphenyl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2sc(C)nc2C)cc1
InChIInChI=1S/C15H15NO4S/c1-9-13(21-10(2)16-9)15(18)20-8-11-4-6-12(7-5-11)14(17)19-3/h4-7H,8H2,1-3H3
InChIKeyKJUIDRJPUCGTLO-UHFFFAOYSA-N
XLogP2.90
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 16578998
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954923
methyl 4-(carbonochloridoyloxymethyl)benzoate
CID 54328192
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
methyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate
CID 71971159
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519685
(4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731714
methyl 4-(aminomethyl)benzoate;molecular hydrogen
CID 143345470
[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-iminoethyl] 4-fluorobenzoate
CID 20850549
(4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 894592
(5-methoxycarbonylfuran-2-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513422
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954603

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 7469399) is (4-methoxycarbonylphenyl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate is COC(=O)c1ccc(COC(=O)c2sc(C)nc2C)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is KJUIDRJPUCGTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-9-13(21-10(2)16-9)15(18)20-8-11-4-6-12(7-5-11)14(17)19-3/h4-7H,8H2,1-3H3.
What are the key properties of (4-methoxycarbonylphenyl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate?
(4-methoxycarbonylphenyl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7469399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).