(2Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetonitrile

C11H6FN3OS — CID 135473480

IUPAC(2Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetonitrile
SMILESN#C/C(=N/O)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C11H6FN3OS/c12-8-3-1-7(2-4-8)10-6-17-11(14-10)9(5-13)15-16/h1-4,6,16H/b15-9-
InChIKeyDHDKUEHKQOOXKD-DHDCSXOGSA-N
MW247.25 g/mol
LogP2.65
Rot. Bonds2

About (2Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetonitrile

(2Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetonitrile (PubChem CID 135473480) has the molecular formula C11H6FN3OS and a molecular weight of 247.25 g/mol. Its IUPAC name is (2Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetonitrile.

Molecular Properties

Compound Name(2Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetonitrile
PubChem CID135473480
Molecular FormulaC11H6FN3OS
Molecular Weight247.25 g/mol
Exact Mass247.02
IUPAC Name(2Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetonitrile
SMILESN#C/C(=N/O)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C11H6FN3OS/c12-8-3-1-7(2-4-8)10-6-17-11(14-10)9(5-13)15-16/h1-4,6,16H/b15-9-
InChIKeyDHDKUEHKQOOXKD-DHDCSXOGSA-N
XLogP2.65
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
4-(4-Fluorophenyl)-1,3-thiazol-2-amine
CID 722371
2-{[4-(2-Fluorophenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CID 1482068
4-Phenyl-2-thiazoleethanamine
CID 1497794
4-(3-Fluorophenyl)-1,3-thiazol-2-amine
CID 777996
4-(2-Fluorophenyl)-1,3-thiazol-2-amine
CID 2737696
2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile
CID 223844
2-Methyl-4-(4-methylphenyl)-1,3-thiazole
CID 667561
(4-Phenyl-1,3-thiazol-2-yl)methanol
CID 698895
2-Chloro-4-phenylthiazole
CID 2761359
2-(Tert-butylsulfonylmethyl)-4-(3-fluorophenyl)-1,3-thiazole
CID 2742537
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N'-hydroxyethanimidamide
CID 9583366

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetonitrile?
The IUPAC name of (2Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetonitrile (CID 135473480) is (2Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetonitrile.
What is the SMILES notation for (2Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetonitrile?
The canonical SMILES for (2Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetonitrile is N#C/C(=N/O)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of (2Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetonitrile?
The InChIKey is DHDKUEHKQOOXKD-DHDCSXOGSA-N. The full InChI is InChI=1S/C11H6FN3OS/c12-8-3-1-7(2-4-8)10-6-17-11(14-10)9(5-13)15-16/h1-4,6,16H/b15-9-.
What are the key properties of (2Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetonitrile?
(2Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetonitrile has a molecular weight of 247.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetonitrile is sourced from PubChem (CID 135473480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).