ethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazole-4-carboxylate

C18H13FN4O3S2 — CID 42269991

IUPACethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)n1
InChIInChI=1S/C18H13FN4O3S2/c1-2-26-16(25)13-8-27-17(20-13)22-15(24)14-9-28-18-21-12(7-23(14)18)10-3-5-11(19)6-4-10/h3-9H,2H2,1H3,(H,20,22,24)
InChIKeyZNNQGNRJXFOFKB-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.09
Rot. Bonds5

About ethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 42269991) has the molecular formula C18H13FN4O3S2 and a molecular weight of 416.46 g/mol. Its IUPAC name is ethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID42269991
Molecular FormulaC18H13FN4O3S2
Molecular Weight416.46 g/mol
Exact Mass416.04
IUPAC Nameethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)n1
InChIInChI=1S/C18H13FN4O3S2/c1-2-26-16(25)13-8-27-17(20-13)22-15(24)14-9-28-18-21-12(7-23(14)18)10-3-5-11(19)6-4-10/h3-9H,2H2,1H3,(H,20,22,24)
InChIKeyZNNQGNRJXFOFKB-UHFFFAOYSA-N
XLogP4.09
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazole-4-carboxylate (CID 42269991) is ethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)n1.
What is the InChIKey of ethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is ZNNQGNRJXFOFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O3S2/c1-2-26-16(25)13-8-27-17(20-13)22-15(24)14-9-28-18-21-12(7-23(14)18)10-3-5-11(19)6-4-10/h3-9H,2H2,1H3,(H,20,22,24).
What are the key properties of ethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 416.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 42269991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).