5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile

C11H8FN3S — CID 63674295

IUPAC5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile
SMILESN#Cc1cc(F)ccc1NCc1nccs1
InChIInChI=1S/C11H8FN3S/c12-9-1-2-10(8(5-9)6-13)15-7-11-14-3-4-16-11/h1-5,15H,7H2
InChIKeyCODRVDFBORDROI-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.77
Rot. Bonds3

About 5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile

5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile (PubChem CID 63674295) has the molecular formula C11H8FN3S and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile
PubChem CID63674295
Molecular FormulaC11H8FN3S
Molecular Weight233.27 g/mol
Exact Mass233.04
IUPAC Name5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile
SMILESN#Cc1cc(F)ccc1NCc1nccs1
InChIInChI=1S/C11H8FN3S/c12-9-1-2-10(8(5-9)6-13)15-7-11-14-3-4-16-11/h1-5,15H,7H2
InChIKeyCODRVDFBORDROI-UHFFFAOYSA-N
XLogP2.77
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline
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5-fluoro-2-[(3,4,5-trifluorophenyl)methylamino]benzonitrile
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5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
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5-fluoro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
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5-fluoro-2-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]benzonitrile
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2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile
CID 79033707
5-fluoro-2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]benzonitrile
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4-nitro-3-(1,3-thiazol-2-ylmethylamino)benzonitrile
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2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile?
The IUPAC name of 5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile (CID 63674295) is 5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile.
What is the SMILES notation for 5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile?
The canonical SMILES for 5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile is N#Cc1cc(F)ccc1NCc1nccs1.
What is the InChIKey of 5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile?
The InChIKey is CODRVDFBORDROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3S/c12-9-1-2-10(8(5-9)6-13)15-7-11-14-3-4-16-11/h1-5,15H,7H2.
What are the key properties of 5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile?
5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile has a molecular weight of 233.27 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile is sourced from PubChem (CID 63674295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).