N-ethyl-6-fluoro-1,3-benzothiazol-5-amine

C9H9FN2S — CID 154952973

IUPACN-ethyl-6-fluoro-1,3-benzothiazol-5-amine
SMILESCCNc1cc2ncsc2cc1F
InChIInChI=1S/C9H9FN2S/c1-2-11-7-4-8-9(3-6(7)10)13-5-12-8/h3-5,11H,2H2,1H3
InChIKeyFNRMWEMWMQTJIF-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.87
Rot. Bonds2

About N-ethyl-6-fluoro-1,3-benzothiazol-5-amine

N-ethyl-6-fluoro-1,3-benzothiazol-5-amine (PubChem CID 154952973) has the molecular formula C9H9FN2S and a molecular weight of 196.25 g/mol. Its IUPAC name is N-ethyl-6-fluoro-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-6-fluoro-1,3-benzothiazol-5-amine
PubChem CID154952973
Molecular FormulaC9H9FN2S
Molecular Weight196.25 g/mol
Exact Mass196.05
IUPAC NameN-ethyl-6-fluoro-1,3-benzothiazol-5-amine
SMILESCCNc1cc2ncsc2cc1F
InChIInChI=1S/C9H9FN2S/c1-2-11-7-4-8-9(3-6(7)10)13-5-12-8/h3-5,11H,2H2,1H3
InChIKeyFNRMWEMWMQTJIF-UHFFFAOYSA-N
XLogP2.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzothiazol-5-amine
CID 70749
2-(1,3-Benzothiazol-2-yl)ethan-1-amine
CID 4962595
N-(2-Methyl-1,3-benzothiazol-5-yl)acetamide
CID 596204
5-Benzothiazolamine, 2-methyl-
CID 36229
Benzothiazolium, 3-ethyl-, iodide (1:1)
CID 10017139
6-Fluoro-alpha-methyl-2-benzothiazolemethanamine
CID 10313528
Einecs 251-204-3
CID 36228
Benzo(d)thiazole-4,5-diamine
CID 43451390
6-Fluorobenzothiazole
CID 10534958
3-Methyl-1,3-benzothiazol-3-ium
CID 22490
2-(1,3-Benzothiazol-2-yl)propan-1-amine
CID 47002323
1-(5-Fluoro-1,3-benzothiazol-2-yl)methanamine
CID 43305618

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluoro-1,3-benzothiazol-5-amine?
The IUPAC name of N-ethyl-6-fluoro-1,3-benzothiazol-5-amine (CID 154952973) is N-ethyl-6-fluoro-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-ethyl-6-fluoro-1,3-benzothiazol-5-amine?
The canonical SMILES for N-ethyl-6-fluoro-1,3-benzothiazol-5-amine is CCNc1cc2ncsc2cc1F.
What is the InChIKey of N-ethyl-6-fluoro-1,3-benzothiazol-5-amine?
The InChIKey is FNRMWEMWMQTJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2S/c1-2-11-7-4-8-9(3-6(7)10)13-5-12-8/h3-5,11H,2H2,1H3.
What are the key properties of N-ethyl-6-fluoro-1,3-benzothiazol-5-amine?
N-ethyl-6-fluoro-1,3-benzothiazol-5-amine has a molecular weight of 196.25 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-1,3-benzothiazol-5-amine is sourced from PubChem (CID 154952973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).