N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide

C19H14FN3O5S — CID 50749839

IUPACN-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1c(-c2ccc(F)cc2)nc2n1CCS2(=O)=O
InChIInChI=1S/C19H14FN3O5S/c20-12-3-1-11(2-4-12)16-17(23-7-8-29(25,26)19(23)22-16)18(24)21-13-5-6-14-15(9-13)28-10-27-14/h1-6,9H,7-8,10H2,(H,21,24)
InChIKeyMGEVTLXAPMXQJT-UHFFFAOYSA-N
MW415.40 g/mol
LogP2.46
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 50749839) has the molecular formula C19H14FN3O5S and a molecular weight of 415.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID50749839
Molecular FormulaC19H14FN3O5S
Molecular Weight415.40 g/mol
Exact Mass415.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1c(-c2ccc(F)cc2)nc2n1CCS2(=O)=O
InChIInChI=1S/C19H14FN3O5S/c20-12-3-1-11(2-4-12)16-17(23-7-8-29(25,26)19(23)22-16)18(24)21-13-5-6-14-15(9-13)28-10-27-14/h1-6,9H,7-8,10H2,(H,21,24)
InChIKeyMGEVTLXAPMXQJT-UHFFFAOYSA-N
XLogP2.46
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 50749839) is N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1c(-c2ccc(F)cc2)nc2n1CCS2(=O)=O.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is MGEVTLXAPMXQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O5S/c20-12-3-1-11(2-4-12)16-17(23-7-8-29(25,26)19(23)22-16)18(24)21-13-5-6-14-15(9-13)28-10-27-14/h1-6,9H,7-8,10H2,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 415.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50749839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).