4-fluoro-2-(1,3-thiazol-2-ylamino)benzonitrile

C10H6FN3S — CID 21069919

IUPAC4-fluoro-2-(1,3-thiazol-2-ylamino)benzonitrile
SMILESN#Cc1ccc(F)cc1Nc1nccs1
InChIInChI=1S/C10H6FN3S/c11-8-2-1-7(6-12)9(5-8)14-10-13-3-4-15-10/h1-5H,(H,13,14)
InChIKeyHOKVSKGVZKWJOD-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.90
Rot. Bonds2

About 4-fluoro-2-(1,3-thiazol-2-ylamino)benzonitrile

4-fluoro-2-(1,3-thiazol-2-ylamino)benzonitrile (PubChem CID 21069919) has the molecular formula C10H6FN3S and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-fluoro-2-(1,3-thiazol-2-ylamino)benzonitrile.

Molecular Properties

Compound Name4-fluoro-2-(1,3-thiazol-2-ylamino)benzonitrile
PubChem CID21069919
Molecular FormulaC10H6FN3S
Molecular Weight219.24 g/mol
Exact Mass219.03
IUPAC Name4-fluoro-2-(1,3-thiazol-2-ylamino)benzonitrile
SMILESN#Cc1ccc(F)cc1Nc1nccs1
InChIInChI=1S/C10H6FN3S/c11-8-2-1-7(6-12)9(5-8)14-10-13-3-4-15-10/h1-5H,(H,13,14)
InChIKeyHOKVSKGVZKWJOD-UHFFFAOYSA-N
XLogP2.90
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1,3-thiazol-2-ylamino)benzonitrile?
The IUPAC name of 4-fluoro-2-(1,3-thiazol-2-ylamino)benzonitrile (CID 21069919) is 4-fluoro-2-(1,3-thiazol-2-ylamino)benzonitrile.
What is the SMILES notation for 4-fluoro-2-(1,3-thiazol-2-ylamino)benzonitrile?
The canonical SMILES for 4-fluoro-2-(1,3-thiazol-2-ylamino)benzonitrile is N#Cc1ccc(F)cc1Nc1nccs1.
What is the InChIKey of 4-fluoro-2-(1,3-thiazol-2-ylamino)benzonitrile?
The InChIKey is HOKVSKGVZKWJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3S/c11-8-2-1-7(6-12)9(5-8)14-10-13-3-4-15-10/h1-5H,(H,13,14).
What are the key properties of 4-fluoro-2-(1,3-thiazol-2-ylamino)benzonitrile?
4-fluoro-2-(1,3-thiazol-2-ylamino)benzonitrile has a molecular weight of 219.24 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1,3-thiazol-2-ylamino)benzonitrile is sourced from PubChem (CID 21069919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).