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

C20H18FN3O4S — CID 50749623

IUPACN-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc3n(c2C(=O)NCc2ccc(F)cc2)CCS3(=O)=O)cc1
InChIInChI=1S/C20H18FN3O4S/c1-28-16-8-4-14(5-9-16)17-18(24-10-11-29(26,27)20(24)23-17)19(25)22-12-13-2-6-15(21)7-3-13/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeyGRXDQABZPUCQLI-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.42
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 50749623) has the molecular formula C20H18FN3O4S and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID50749623
Molecular FormulaC20H18FN3O4S
Molecular Weight415.45 g/mol
Exact Mass415.10
IUPAC NameN-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc3n(c2C(=O)NCc2ccc(F)cc2)CCS3(=O)=O)cc1
InChIInChI=1S/C20H18FN3O4S/c1-28-16-8-4-14(5-9-16)17-18(24-10-11-29(26,27)20(24)23-17)19(25)22-12-13-2-6-15(21)7-3-13/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeyGRXDQABZPUCQLI-UHFFFAOYSA-N
XLogP2.42
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 50749623) is N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is COc1ccc(-c2nc3n(c2C(=O)NCc2ccc(F)cc2)CCS3(=O)=O)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is GRXDQABZPUCQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4S/c1-28-16-8-4-14(5-9-16)17-18(24-10-11-29(26,27)20(24)23-17)19(25)22-12-13-2-6-15(21)7-3-13/h2-9H,10-12H2,1H3,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50749623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).