4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine

C14H15FN4S — CID 60784948

IUPAC4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCC(C)n1c(Cc2csc(N)n2)nc2c(F)cccc21
InChIInChI=1S/C14H15FN4S/c1-8(2)19-11-5-3-4-10(15)13(11)18-12(19)6-9-7-20-14(16)17-9/h3-5,7-8H,6H2,1-2H3,(H2,16,17)
InChIKeyZRGGMFIMWUHSLB-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.39
Rot. Bonds3

About 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine

4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 60784948) has the molecular formula C14H15FN4S and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID60784948
Molecular FormulaC14H15FN4S
Molecular Weight290.37 g/mol
Exact Mass290.10
IUPAC Name4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCC(C)n1c(Cc2csc(N)n2)nc2c(F)cccc21
InChIInChI=1S/C14H15FN4S/c1-8(2)19-11-5-3-4-10(15)13(11)18-12(19)6-9-7-20-14(16)17-9/h3-5,7-8H,6H2,1-2H3,(H2,16,17)
InChIKeyZRGGMFIMWUHSLB-UHFFFAOYSA-N
XLogP3.39
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 60784474
3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 60785241
4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
CID 60784171
N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 63066063
ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate
CID 79475353
2-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methylsulfanyl]acetic acid
CID 113427889
2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine
CID 84777995
4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
CID 54919931
2-benzyl-1-propan-2-ylbenzimidazol-4-amine
CID 82068006
2-amino-1-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 66165047
3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62947060
2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
CID 60785236

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine (CID 60784948) is 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine is CC(C)n1c(Cc2csc(N)n2)nc2c(F)cccc21.
What is the InChIKey of 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ZRGGMFIMWUHSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4S/c1-8(2)19-11-5-3-4-10(15)13(11)18-12(19)6-9-7-20-14(16)17-9/h3-5,7-8H,6H2,1-2H3,(H2,16,17).
What are the key properties of 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 290.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 60784948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).