N-ethyl-6-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C19H18FN5OS — CID 42508898

IUPACN-ethyl-6-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCN(CCn1cccn1)C(=O)c1csc2nc(-c3cccc(F)c3)cn12
InChIInChI=1S/C19H18FN5OS/c1-2-23(9-10-24-8-4-7-21-24)18(26)17-13-27-19-22-16(12-25(17)19)14-5-3-6-15(20)11-14/h3-8,11-13H,2,9-10H2,1H3
InChIKeyROFXRCZOLHXITB-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.56
Rot. Bonds6

About N-ethyl-6-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-ethyl-6-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42508898) has the molecular formula C19H18FN5OS and a molecular weight of 383.45 g/mol. Its IUPAC name is N-ethyl-6-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42508898
Molecular FormulaC19H18FN5OS
Molecular Weight383.45 g/mol
Exact Mass383.12
IUPAC NameN-ethyl-6-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCN(CCn1cccn1)C(=O)c1csc2nc(-c3cccc(F)c3)cn12
InChIInChI=1S/C19H18FN5OS/c1-2-23(9-10-24-8-4-7-21-24)18(26)17-13-27-19-22-16(12-25(17)19)14-5-3-6-15(20)11-14/h3-8,11-13H,2,9-10H2,1H3
InChIKeyROFXRCZOLHXITB-UHFFFAOYSA-N
XLogP3.56
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-ethyl-6-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42508898) is N-ethyl-6-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-ethyl-6-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-ethyl-6-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is CCN(CCn1cccn1)C(=O)c1csc2nc(-c3cccc(F)c3)cn12.
What is the InChIKey of N-ethyl-6-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is ROFXRCZOLHXITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5OS/c1-2-23(9-10-24-8-4-7-21-24)18(26)17-13-27-19-22-16(12-25(17)19)14-5-3-6-15(20)11-14/h3-8,11-13H,2,9-10H2,1H3.
What are the key properties of N-ethyl-6-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-ethyl-6-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42508898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).