2-fluoro-3-prop-2-enyl-2H-1,3-benzothiazole

C10H10FNS — CID 67680542

IUPAC2-fluoro-3-prop-2-enyl-2H-1,3-benzothiazole
SMILESC=CCN1c2ccccc2SC1F
InChIInChI=1S/C10H10FNS/c1-2-7-12-8-5-3-4-6-9(8)13-10(12)11/h2-6,10H,1,7H2
InChIKeyLEBXMAGWAZKGPM-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.04
Rot. Bonds2

About 2-fluoro-3-prop-2-enyl-2H-1,3-benzothiazole

2-fluoro-3-prop-2-enyl-2H-1,3-benzothiazole (PubChem CID 67680542) has the molecular formula C10H10FNS and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-fluoro-3-prop-2-enyl-2H-1,3-benzothiazole.

Molecular Properties

Compound Name2-fluoro-3-prop-2-enyl-2H-1,3-benzothiazole
PubChem CID67680542
Molecular FormulaC10H10FNS
Molecular Weight195.26 g/mol
Exact Mass195.05
IUPAC Name2-fluoro-3-prop-2-enyl-2H-1,3-benzothiazole
SMILESC=CCN1c2ccccc2SC1F
InChIInChI=1S/C10H10FNS/c1-2-7-12-8-5-3-4-6-9(8)13-10(12)11/h2-6,10H,1,7H2
InChIKeyLEBXMAGWAZKGPM-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-Methylbenzothiazole-2(3H)-thione
CID 75264
3-Hydroxymethyl-1,3-benzothiazole-2-thione
CID 854167
3-Methyl-2-benzothiazolone hydrazone hydrochloride
CID 9575839
3-methylbenzothiazol-2(3H)-one hydrazone
CID 14319
3-Methyl-2-benzothiazolinone hydrazone hydrochloride
CID 78041
3-Methyl-1,3-benzothiazol-2(3H)-imine
CID 84642
3-(Piperidinomethyl)-2-benzothiazolinethione
CID 248759
3-(2-Chloro-ethyl)-3H-benzothiazol-2-one
CID 272711
2,3-Dihydrobenzo[d]thiazole-2-thiol
CID 3266369
1-(3-Methyl-3H-benzothiazol-2-ylidene)-propane-2-thione
CID 721517
2(3H)-Benzothiazolone, 3-methyl-
CID 76031
3-Methyl-2-benzothiazolone hydrazone
CID 5782694

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-prop-2-enyl-2H-1,3-benzothiazole?
The IUPAC name of 2-fluoro-3-prop-2-enyl-2H-1,3-benzothiazole (CID 67680542) is 2-fluoro-3-prop-2-enyl-2H-1,3-benzothiazole.
What is the SMILES notation for 2-fluoro-3-prop-2-enyl-2H-1,3-benzothiazole?
The canonical SMILES for 2-fluoro-3-prop-2-enyl-2H-1,3-benzothiazole is C=CCN1c2ccccc2SC1F.
What is the InChIKey of 2-fluoro-3-prop-2-enyl-2H-1,3-benzothiazole?
The InChIKey is LEBXMAGWAZKGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNS/c1-2-7-12-8-5-3-4-6-9(8)13-10(12)11/h2-6,10H,1,7H2.
What are the key properties of 2-fluoro-3-prop-2-enyl-2H-1,3-benzothiazole?
2-fluoro-3-prop-2-enyl-2H-1,3-benzothiazole has a molecular weight of 195.26 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-prop-2-enyl-2H-1,3-benzothiazole is sourced from PubChem (CID 67680542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).