5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine

C12H11FN4OS — CID 63825511

IUPAC5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2Cc1cscn1
InChIInChI=1S/C12H11FN4OS/c1-18-11-3-10-9(2-8(11)13)16-12(14)17(10)4-7-5-19-6-15-7/h2-3,5-6H,4H2,1H3,(H2,14,16)
InChIKeyJJXLDOUAHOLFPV-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.27
Rot. Bonds3

About 5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine

5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine (PubChem CID 63825511) has the molecular formula C12H11FN4OS and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
PubChem CID63825511
Molecular FormulaC12H11FN4OS
Molecular Weight278.31 g/mol
Exact Mass278.06
IUPAC Name5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2Cc1cscn1
InChIInChI=1S/C12H11FN4OS/c1-18-11-3-10-9(2-8(11)13)16-12(14)17(10)4-7-5-19-6-15-7/h2-3,5-6H,4H2,1H3,(H2,14,16)
InChIKeyJJXLDOUAHOLFPV-UHFFFAOYSA-N
XLogP2.27
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine (CID 63825511) is 5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine is COc1cc2c(cc1F)nc(N)n2Cc1cscn1.
What is the InChIKey of 5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine?
The InChIKey is JJXLDOUAHOLFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4OS/c1-18-11-3-10-9(2-8(11)13)16-12(14)17(10)4-7-5-19-6-15-7/h2-3,5-6H,4H2,1H3,(H2,14,16).
What are the key properties of 5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine?
5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine has a molecular weight of 278.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 63825511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).