N-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C14H12FN3OS — CID 110852567

IUPACN-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cn2ccsc2n1
InChIInChI=1S/C14H12FN3OS/c15-11-3-1-10(2-4-11)5-6-16-13(19)12-9-18-7-8-20-14(18)17-12/h1-4,7-9H,5-6H2,(H,16,19)
InChIKeyXKKXAMYGEROKER-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.51
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 110852567) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID110852567
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC NameN-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cn2ccsc2n1
InChIInChI=1S/C14H12FN3OS/c15-11-3-1-10(2-4-11)5-6-16-13(19)12-9-18-7-8-20-14(18)17-12/h1-4,7-9H,5-6H2,(H,16,19)
InChIKeyXKKXAMYGEROKER-UHFFFAOYSA-N
XLogP2.51
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110851231
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70770649
6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 115496649
N-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110862757
N-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56892018
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62237588
3,4-difluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)benzamide
CID 7150810
6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-dicarboxamide
CID 109093462
(2R)-2-(2,4-difluorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)acetic acid
CID 97202424
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)thiophene-2-carboxamide
CID 5310147
N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9402673
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846789

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 110852567) is N-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCCc1ccc(F)cc1)c1cn2ccsc2n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is XKKXAMYGEROKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c15-11-3-1-10(2-4-11)5-6-16-13(19)12-9-18-7-8-20-14(18)17-12/h1-4,7-9H,5-6H2,(H,16,19).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 110852567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).