N-ethyl-4-(1-fluoroethoxy)-1,2-benzothiazol-3-amine

C11H13FN2OS — CID 71161720

IUPACN-ethyl-4-(1-fluoroethoxy)-1,2-benzothiazol-3-amine
SMILESCCNc1nsc2cccc(OC(C)F)c12
InChIInChI=1S/C11H13FN2OS/c1-3-13-11-10-8(15-7(2)12)5-4-6-9(10)16-14-11/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyIHSFDRKFEJMRRS-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.42
Rot. Bonds4

About N-ethyl-4-(1-fluoroethoxy)-1,2-benzothiazol-3-amine

N-ethyl-4-(1-fluoroethoxy)-1,2-benzothiazol-3-amine (PubChem CID 71161720) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is N-ethyl-4-(1-fluoroethoxy)-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-ethyl-4-(1-fluoroethoxy)-1,2-benzothiazol-3-amine
PubChem CID71161720
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC NameN-ethyl-4-(1-fluoroethoxy)-1,2-benzothiazol-3-amine
SMILESCCNc1nsc2cccc(OC(C)F)c12
InChIInChI=1S/C11H13FN2OS/c1-3-13-11-10-8(15-7(2)12)5-4-6-9(10)16-14-11/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeyIHSFDRKFEJMRRS-UHFFFAOYSA-N
XLogP3.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-fluoroethoxy)-1,2-benzothiazol-3-amine?
The IUPAC name of N-ethyl-4-(1-fluoroethoxy)-1,2-benzothiazol-3-amine (CID 71161720) is N-ethyl-4-(1-fluoroethoxy)-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-ethyl-4-(1-fluoroethoxy)-1,2-benzothiazol-3-amine?
The canonical SMILES for N-ethyl-4-(1-fluoroethoxy)-1,2-benzothiazol-3-amine is CCNc1nsc2cccc(OC(C)F)c12.
What is the InChIKey of N-ethyl-4-(1-fluoroethoxy)-1,2-benzothiazol-3-amine?
The InChIKey is IHSFDRKFEJMRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c1-3-13-11-10-8(15-7(2)12)5-4-6-9(10)16-14-11/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-4-(1-fluoroethoxy)-1,2-benzothiazol-3-amine?
N-ethyl-4-(1-fluoroethoxy)-1,2-benzothiazol-3-amine has a molecular weight of 240.30 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-fluoroethoxy)-1,2-benzothiazol-3-amine is sourced from PubChem (CID 71161720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).