N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C17H16FN5OS — CID 70782657

IUPACN-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)c1cn2ccsc2n1
InChIInChI=1S/C17H16FN5OS/c1-2-22(16(24)14-10-23-7-8-25-17(23)21-14)6-5-15-19-12-4-3-11(18)9-13(12)20-15/h3-4,7-10H,2,5-6H2,1H3,(H,19,20)
InChIKeyCHONJUSQFPYQBK-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.12
Rot. Bonds5

About N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 70782657) has the molecular formula C17H16FN5OS and a molecular weight of 357.41 g/mol. Its IUPAC name is N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID70782657
Molecular FormulaC17H16FN5OS
Molecular Weight357.41 g/mol
Exact Mass357.11
IUPAC NameN-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)c1cn2ccsc2n1
InChIInChI=1S/C17H16FN5OS/c1-2-22(16(24)14-10-23-7-8-25-17(23)21-14)6-5-15-19-12-4-3-11(18)9-13(12)20-15/h3-4,7-10H,2,5-6H2,1H3,(H,19,20)
InChIKeyCHONJUSQFPYQBK-UHFFFAOYSA-N
XLogP3.12
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride
CID 163334571
1-ethyl-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea
CID 126431490
N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95707165
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide
CID 143212121
N-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110852567
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
(2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide
CID 118760636
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 131898907
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 162625615
N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 58074753
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 118794142

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 70782657) is N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)c1cn2ccsc2n1.
What is the InChIKey of N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is CHONJUSQFPYQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5OS/c1-2-22(16(24)14-10-23-7-8-25-17(23)21-14)6-5-15-19-12-4-3-11(18)9-13(12)20-15/h3-4,7-10H,2,5-6H2,1H3,(H,19,20).
What are the key properties of N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 70782657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).