4-ethoxy-1,3-benzothiazol-2-amine

C9H10N2OS — CID 27508

IUPAC4-ethoxy-1,3-benzothiazol-2-amine
SMILESCCOc1cccc2sc(N)nc12
InChIInChI=1S/C9H10N2OS/c1-2-12-6-4-3-5-7-8(6)11-9(10)13-7/h3-5H,2H2,1H3,(H2,10,11)
InChIKeyJHGMOMZRSFGBFV-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.28
Rot. Bonds2

About 4-ethoxy-1,3-benzothiazol-2-amine

4-ethoxy-1,3-benzothiazol-2-amine (PubChem CID 27508) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 4-ethoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-ethoxy-1,3-benzothiazol-2-amine
PubChem CID27508
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name4-ethoxy-1,3-benzothiazol-2-amine
SMILESCCOc1cccc2sc(N)nc12
InChIInChI=1S/C9H10N2OS/c1-2-12-6-4-3-5-7-8(6)11-9(10)13-7/h3-5H,2H2,1H3,(H2,10,11)
InChIKeyJHGMOMZRSFGBFV-UHFFFAOYSA-N
XLogP2.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1,3-benzothiazol-2-amine?
The IUPAC name of 4-ethoxy-1,3-benzothiazol-2-amine (CID 27508) is 4-ethoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-ethoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-ethoxy-1,3-benzothiazol-2-amine is CCOc1cccc2sc(N)nc12.
What is the InChIKey of 4-ethoxy-1,3-benzothiazol-2-amine?
The InChIKey is JHGMOMZRSFGBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-2-12-6-4-3-5-7-8(6)11-9(10)13-7/h3-5H,2H2,1H3,(H2,10,11).
What are the key properties of 4-ethoxy-1,3-benzothiazol-2-amine?
4-ethoxy-1,3-benzothiazol-2-amine has a molecular weight of 194.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 27508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).