[4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine

C13H13FN4S — CID 66380869

IUPAC[4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESCCn1c(-c2csc(CN)n2)nc2ccc(F)cc21
InChIInChI=1S/C13H13FN4S/c1-2-18-11-5-8(14)3-4-9(11)17-13(18)10-7-19-12(6-15)16-10/h3-5,7H,2,6,15H2,1H3
InChIKeyWTLZRXABHKCLIZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.78
Rot. Bonds3

About [4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine

[4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 66380869) has the molecular formula C13H13FN4S and a molecular weight of 276.34 g/mol. Its IUPAC name is [4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID66380869
Molecular FormulaC13H13FN4S
Molecular Weight276.34 g/mol
Exact Mass276.08
IUPAC Name[4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESCCn1c(-c2csc(CN)n2)nc2ccc(F)cc21
InChIInChI=1S/C13H13FN4S/c1-2-18-11-5-8(14)3-4-9(11)17-13(18)10-7-19-12(6-15)16-10/h3-5,7H,2,6,15H2,1H3
InChIKeyWTLZRXABHKCLIZ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine with MolForge

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Related Compounds

2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66380200
4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 63187874
4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
CID 136885635
3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 60783425
3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
CID 136928271
1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine
CID 62377244
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229
3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid
CID 62924974
2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
CID 65220732
2-[[2-(1-chloroethyl)-6-fluorobenzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 62378264
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536
ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate
CID 79474955

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine (CID 66380869) is [4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine is CCn1c(-c2csc(CN)n2)nc2ccc(F)cc21.
What is the InChIKey of [4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is WTLZRXABHKCLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4S/c1-2-18-11-5-8(14)3-4-9(11)17-13(18)10-7-19-12(6-15)16-10/h3-5,7H,2,6,15H2,1H3.
What are the key properties of [4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine?
[4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 276.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 66380869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).