N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C20H16N2O4S — CID 5203987

IUPACN-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)C1=COCCO1
InChIInChI=1S/C20H16N2O4S/c23-19(18-12-24-10-11-25-18)22-20-21-17(13-27-20)14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H,21,22,23)
InChIKeyCNJXEWRHXILNIR-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.43
Rot. Bonds5

About N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 5203987) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID5203987
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC NameN-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)C1=COCCO1
InChIInChI=1S/C20H16N2O4S/c23-19(18-12-24-10-11-25-18)22-20-21-17(13-27-20)14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H,21,22,23)
InChIKeyCNJXEWRHXILNIR-UHFFFAOYSA-N
XLogP4.43
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 5203987) is N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)C1=COCCO1.
What is the InChIKey of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is CNJXEWRHXILNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c23-19(18-12-24-10-11-25-18)22-20-21-17(13-27-20)14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H,21,22,23).
What are the key properties of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 5203987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).