N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide

C13H11FN4OS — CID 84561103

IUPACN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1nc2ccc(F)cc2[nH]1)c1cscn1
InChIInChI=1S/C13H11FN4OS/c14-8-1-2-9-10(5-8)18-12(17-9)3-4-15-13(19)11-6-20-7-16-11/h1-2,5-7H,3-4H2,(H,15,19)(H,17,18)
InChIKeyYKXLXTOGBOWQBT-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.13
Rot. Bonds4

About N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 84561103) has the molecular formula C13H11FN4OS and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID84561103
Molecular FormulaC13H11FN4OS
Molecular Weight290.32 g/mol
Exact Mass290.06
IUPAC NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1nc2ccc(F)cc2[nH]1)c1cscn1
InChIInChI=1S/C13H11FN4OS/c14-8-1-2-9-10(5-8)18-12(17-9)3-4-15-13(19)11-6-20-7-16-11/h1-2,5-7H,3-4H2,(H,15,19)(H,17,18)
InChIKeyYKXLXTOGBOWQBT-UHFFFAOYSA-N
XLogP2.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide
CID 120504301
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120504300
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119898385
2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187076
4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 146084625
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119898336
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118781489
1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 154864189
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 162625615
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 84560321

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 84561103) is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide is O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cscn1.
What is the InChIKey of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YKXLXTOGBOWQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4OS/c14-8-1-2-9-10(5-8)18-12(17-9)3-4-15-13(19)11-6-20-7-16-11/h1-2,5-7H,3-4H2,(H,15,19)(H,17,18).
What are the key properties of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84561103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).