4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine

C13H13FN4S — CID 60784474

IUPAC4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCCn1c(Cc2csc(N)n2)nc2c(F)cccc21
InChIInChI=1S/C13H13FN4S/c1-2-18-10-5-3-4-9(14)12(10)17-11(18)6-8-7-19-13(15)16-8/h3-5,7H,2,6H2,1H3,(H2,15,16)
InChIKeyRDKGJKFNSOCIIR-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.82
Rot. Bonds3

About 4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine

4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 60784474) has the molecular formula C13H13FN4S and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID60784474
Molecular FormulaC13H13FN4S
Molecular Weight276.34 g/mol
Exact Mass276.08
IUPAC Name4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCCn1c(Cc2csc(N)n2)nc2c(F)cccc21
InChIInChI=1S/C13H13FN4S/c1-2-18-10-5-3-4-9(14)12(10)17-11(18)6-8-7-19-13(15)16-8/h3-5,7H,2,6H2,1H3,(H2,15,16)
InChIKeyRDKGJKFNSOCIIR-UHFFFAOYSA-N
XLogP2.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 60784948
2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline
CID 63745698
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79846796
4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60784772
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672025
5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 60835551
N-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine
CID 62826190
2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol
CID 136789662
5-(1-ethyl-4-fluorobenzimidazol-2-yl)pyridin-2-amine
CID 63262168
2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole
CID 56789706
2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol
CID 60835711
2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80721603

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine (CID 60784474) is 4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine is CCn1c(Cc2csc(N)n2)nc2c(F)cccc21.
What is the InChIKey of 4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is RDKGJKFNSOCIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4S/c1-2-18-10-5-3-4-9(14)12(10)17-11(18)6-8-7-19-13(15)16-8/h3-5,7H,2,6H2,1H3,(H2,15,16).
What are the key properties of 4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 276.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 60784474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).