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

C14H10F2N2O3S — CID 8801479

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1=COCCO1
InChIInChI=1S/C14H10F2N2O3S/c15-9-2-1-8(5-10(9)16)11-7-22-14(17-11)18-13(19)12-6-20-3-4-21-12/h1-2,5-7H,3-4H2,(H,17,18,19)
InChIKeyVCWYSBRDDDNPGS-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.91
Rot. Bonds3

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

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 8801479) has the molecular formula C14H10F2N2O3S and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID8801479
Molecular FormulaC14H10F2N2O3S
Molecular Weight324.31 g/mol
Exact Mass324.04
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1=COCCO1
InChIInChI=1S/C14H10F2N2O3S/c15-9-2-1-8(5-10(9)16)11-7-22-14(17-11)18-13(19)12-6-20-3-4-21-12/h1-2,5-7H,3-4H2,(H,17,18,19)
InChIKeyVCWYSBRDDDNPGS-UHFFFAOYSA-N
XLogP2.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 8801479) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1=COCCO1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is VCWYSBRDDDNPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3S/c15-9-2-1-8(5-10(9)16)11-7-22-14(17-11)18-13(19)12-6-20-3-4-21-12/h1-2,5-7H,3-4H2,(H,17,18,19).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 324.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 8801479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).