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

C19H15ClFN3O4S — CID 50749619

IUPACN-(5-chloro-2-methoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1c(-c2ccc(F)cc2)nc2n1CCS2(=O)=O
InChIInChI=1S/C19H15ClFN3O4S/c1-28-15-7-4-12(20)10-14(15)22-18(25)17-16(11-2-5-13(21)6-3-11)23-19-24(17)8-9-29(19,26)27/h2-7,10H,8-9H2,1H3,(H,22,25)
InChIKeyLHSTZWXOWSWANI-UHFFFAOYSA-N
MW435.86 g/mol
LogP3.39
Rot. Bonds4

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

N-(5-chloro-2-methoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 50749619) has the molecular formula C19H15ClFN3O4S and a molecular weight of 435.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID50749619
Molecular FormulaC19H15ClFN3O4S
Molecular Weight435.86 g/mol
Exact Mass435.05
IUPAC NameN-(5-chloro-2-methoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1c(-c2ccc(F)cc2)nc2n1CCS2(=O)=O
InChIInChI=1S/C19H15ClFN3O4S/c1-28-15-7-4-12(20)10-14(15)22-18(25)17-16(11-2-5-13(21)6-3-11)23-19-24(17)8-9-29(19,26)27/h2-7,10H,8-9H2,1H3,(H,22,25)
InChIKeyLHSTZWXOWSWANI-UHFFFAOYSA-N
XLogP3.39
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.86
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 50749619) is N-(5-chloro-2-methoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is COc1ccc(Cl)cc1NC(=O)c1c(-c2ccc(F)cc2)nc2n1CCS2(=O)=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is LHSTZWXOWSWANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O4S/c1-28-15-7-4-12(20)10-14(15)22-18(25)17-16(11-2-5-13(21)6-3-11)23-19-24(17)8-9-29(19,26)27/h2-7,10H,8-9H2,1H3,(H,22,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-(5-chloro-2-methoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 435.86 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-6-(4-fluorophenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50749619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).