methyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate

C16H14N2O5S — CID 4103238

IUPACmethyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate
SMILESCOC(=O)c1ccc(-c2csc(NC(=O)C3=COCCO3)n2)cc1
InChIInChI=1S/C16H14N2O5S/c1-21-15(20)11-4-2-10(3-5-11)12-9-24-16(17-12)18-14(19)13-8-22-6-7-23-13/h2-5,8-9H,6-7H2,1H3,(H,17,18,19)
InChIKeyDNFHLTPWYPLFHD-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.42
Rot. Bonds4

About methyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate

methyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate (PubChem CID 4103238) has the molecular formula C16H14N2O5S and a molecular weight of 346.36 g/mol. Its IUPAC name is methyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate
PubChem CID4103238
Molecular FormulaC16H14N2O5S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC Namemethyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate
SMILESCOC(=O)c1ccc(-c2csc(NC(=O)C3=COCCO3)n2)cc1
InChIInChI=1S/C16H14N2O5S/c1-21-15(20)11-4-2-10(3-5-11)12-9-24-16(17-12)18-14(19)13-8-22-6-7-23-13/h2-5,8-9H,6-7H2,1H3,(H,17,18,19)
InChIKeyDNFHLTPWYPLFHD-UHFFFAOYSA-N
XLogP2.42
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate with MolForge

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Related Compounds

N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4195368
N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4065102
methyl 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 4169959
methyl 4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]benzoate
CID 17424348
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 8702482
methyl 4-[2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]benzoate
CID 121044368
methyl 4-[2-[(2-cyanoacetyl)amino]-1,3-thiazol-4-yl]benzoate
CID 146190126
methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 43049637
methyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate
CID 7532996
methyl 4-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate
CID 45497383
methyl 4-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]benzoate
CID 43951125
methyl 4-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]benzoate
CID 30515195

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate?
The IUPAC name of methyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate (CID 4103238) is methyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate.
What is the SMILES notation for methyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate?
The canonical SMILES for methyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate is COC(=O)c1ccc(-c2csc(NC(=O)C3=COCCO3)n2)cc1.
What is the InChIKey of methyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate?
The InChIKey is DNFHLTPWYPLFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S/c1-21-15(20)11-4-2-10(3-5-11)12-9-24-16(17-12)18-14(19)13-8-22-6-7-23-13/h2-5,8-9H,6-7H2,1H3,(H,17,18,19).
What are the key properties of methyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate?
methyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate has a molecular weight of 346.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate is sourced from PubChem (CID 4103238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).