[5-(6-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine

C12H10FN3OS — CID 63676577

IUPAC[5-(6-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc2ccc(F)cc2o1
InChIInChI=1S/C12H10FN3OS/c1-6-11(18-10(5-14)15-6)12-16-8-3-2-7(13)4-9(8)17-12/h2-4H,5,14H2,1H3
InChIKeyYGUBLCIRGKXFDY-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.86
Rot. Bonds2

About [5-(6-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine

[5-(6-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine (PubChem CID 63676577) has the molecular formula C12H10FN3OS and a molecular weight of 263.30 g/mol. Its IUPAC name is [5-(6-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(6-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
PubChem CID63676577
Molecular FormulaC12H10FN3OS
Molecular Weight263.30 g/mol
Exact Mass263.05
IUPAC Name[5-(6-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc2ccc(F)cc2o1
InChIInChI=1S/C12H10FN3OS/c1-6-11(18-10(5-14)15-6)12-16-8-3-2-7(13)4-9(8)17-12/h2-4H,5,14H2,1H3
InChIKeyYGUBLCIRGKXFDY-UHFFFAOYSA-N
XLogP2.86
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(6-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(6-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine (CID 63676577) is [5-(6-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(6-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(6-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine is Cc1nc(CN)sc1-c1nc2ccc(F)cc2o1.
What is the InChIKey of [5-(6-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is YGUBLCIRGKXFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3OS/c1-6-11(18-10(5-14)15-6)12-16-8-3-2-7(13)4-9(8)17-12/h2-4H,5,14H2,1H3.
What are the key properties of [5-(6-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
[5-(6-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 263.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 63676577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).