4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole

C11H8FN3S — CID 65198564

IUPAC4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2nc3ccc(F)cc3[nH]2)cs1
InChIInChI=1S/C11H8FN3S/c1-6-13-10(5-16-6)11-14-8-3-2-7(12)4-9(8)15-11/h2-5H,1H3,(H,14,15)
InChIKeyIYOIAPJJCXXIHF-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.13
Rot. Bonds1

About 4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole

4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole (PubChem CID 65198564) has the molecular formula C11H8FN3S and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole
PubChem CID65198564
Molecular FormulaC11H8FN3S
Molecular Weight233.27 g/mol
Exact Mass233.04
IUPAC Name4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2nc3ccc(F)cc3[nH]2)cs1
InChIInChI=1S/C11H8FN3S/c1-6-13-10(5-16-6)11-14-8-3-2-7(12)4-9(8)15-11/h2-5H,1H3,(H,14,15)
InChIKeyIYOIAPJJCXXIHF-UHFFFAOYSA-N
XLogP3.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole (CID 65198564) is 4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole is Cc1nc(-c2nc3ccc(F)cc3[nH]2)cs1.
What is the InChIKey of 4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole?
The InChIKey is IYOIAPJJCXXIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3S/c1-6-13-10(5-16-6)11-14-8-3-2-7(12)4-9(8)15-11/h2-5H,1H3,(H,14,15).
What are the key properties of 4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole?
4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole has a molecular weight of 233.27 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 65198564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).