dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate

C18H15NO5S2 — CID 27264242

IUPACdimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OCc2csc(-c3cccs3)n2)cc(C(=O)OC)c1
InChIInChI=1S/C18H15NO5S2/c1-22-17(20)11-6-12(18(21)23-2)8-14(7-11)24-9-13-10-26-16(19-13)15-4-3-5-25-15/h3-8,10H,9H2,1-2H3
InChIKeyVUHNWJWQMBANHA-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.02
Rot. Bonds6

About dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate

dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate (PubChem CID 27264242) has the molecular formula C18H15NO5S2 and a molecular weight of 389.45 g/mol. Its IUPAC name is dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate
PubChem CID27264242
Molecular FormulaC18H15NO5S2
Molecular Weight389.45 g/mol
Exact Mass389.04
IUPAC Namedimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OCc2csc(-c3cccs3)n2)cc(C(=O)OC)c1
InChIInChI=1S/C18H15NO5S2/c1-22-17(20)11-6-12(18(21)23-2)8-14(7-11)24-9-13-10-26-16(19-13)15-4-3-5-25-15/h3-8,10H,9H2,1-2H3
InChIKeyVUHNWJWQMBANHA-UHFFFAOYSA-N
XLogP4.02
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate with MolForge

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Related Compounds

dimethyl 5-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate
CID 16571362
dimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate
CID 16610768
methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 51173434
dimethyl 5-thiophen-2-ylbenzene-1,3-dicarboxylate
CID 5323903
N-(3,5-dimethoxyphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 9441109
methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 60564920
methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 38237310
methyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 9047543
methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate
CID 21074228
(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 46822706
dimethyl 5-(1,3-benzothiazol-2-ylmethoxy)benzene-1,3-dicarboxylate
CID 7643399
(2,5-dimethoxyphenyl)methyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 39966951

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate (CID 27264242) is dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate is COC(=O)c1cc(OCc2csc(-c3cccs3)n2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate?
The InChIKey is VUHNWJWQMBANHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5S2/c1-22-17(20)11-6-12(18(21)23-2)8-14(7-11)24-9-13-10-26-16(19-13)15-4-3-5-25-15/h3-8,10H,9H2,1-2H3.
What are the key properties of dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate?
dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate has a molecular weight of 389.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate is sourced from PubChem (CID 27264242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).