(2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate

C15H13NO4S — CID 8763058

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESO=C(OCc1csc(-c2ccccc2)n1)C1=COCCO1
InChIInChI=1S/C15H13NO4S/c17-15(13-9-18-6-7-19-13)20-8-12-10-21-14(16-12)11-4-2-1-3-5-11/h1-5,9-10H,6-8H2
InChIKeyUSFXHGJPNHUHSJ-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.74
Rot. Bonds4

About (2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate

(2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate (PubChem CID 8763058) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate
PubChem CID8763058
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESO=C(OCc1csc(-c2ccccc2)n1)C1=COCCO1
InChIInChI=1S/C15H13NO4S/c17-15(13-9-18-6-7-19-13)20-8-12-10-21-14(16-12)11-4-2-1-3-5-11/h1-5,9-10H,6-8H2
InChIKeyUSFXHGJPNHUHSJ-UHFFFAOYSA-N
XLogP2.74
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 4857964
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(2-phenyl-1,3-thiazol-4-yl)methyl 3-(trifluoromethyl)benzoate
CID 7860078
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
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(2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
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(2-phenyl-1,3-thiazol-4-yl)methyl 3-methyl-4-nitrobenzoate
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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate (CID 8763058) is (2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate is O=C(OCc1csc(-c2ccccc2)n1)C1=COCCO1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate?
The InChIKey is USFXHGJPNHUHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c17-15(13-9-18-6-7-19-13)20-8-12-10-21-14(16-12)11-4-2-1-3-5-11/h1-5,9-10H,6-8H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate has a molecular weight of 303.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate is sourced from PubChem (CID 8763058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).