5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole

C11H7F2N3S — CID 81463558

IUPAC5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1-c1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C11H7F2N3S/c1-5-10(17-4-14-5)11-15-8-3-6(12)2-7(13)9(8)16-11/h2-4H,1H3,(H,15,16)
InChIKeyKZEZWJSFKBRQSX-UHFFFAOYSA-N
MW251.26 g/mol
LogP3.27
Rot. Bonds1

About 5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole

5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole (PubChem CID 81463558) has the molecular formula C11H7F2N3S and a molecular weight of 251.26 g/mol. Its IUPAC name is 5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole
PubChem CID81463558
Molecular FormulaC11H7F2N3S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Name5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1-c1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C11H7F2N3S/c1-5-10(17-4-14-5)11-15-8-3-6(12)2-7(13)9(8)16-11/h2-4H,1H3,(H,15,16)
InChIKeyKZEZWJSFKBRQSX-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole (CID 81463558) is 5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole is Cc1ncsc1-c1nc2c(F)cc(F)cc2[nH]1.
What is the InChIKey of 5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole?
The InChIKey is KZEZWJSFKBRQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3S/c1-5-10(17-4-14-5)11-15-8-3-6(12)2-7(13)9(8)16-11/h2-4H,1H3,(H,15,16).
What are the key properties of 5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole?
5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole has a molecular weight of 251.26 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 81463558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).