7-chloro-N-(3-ethoxycyclobutyl)-1,3-benzothiazol-2-amine

C13H15ClN2OS — CID 114119919

IUPAC7-chloro-N-(3-ethoxycyclobutyl)-1,3-benzothiazol-2-amine
SMILESCCOC1CC(Nc2nc3cccc(Cl)c3s2)C1
InChIInChI=1S/C13H15ClN2OS/c1-2-17-9-6-8(7-9)15-13-16-11-5-3-4-10(14)12(11)18-13/h3-5,8-9H,2,6-7H2,1H3,(H,15,16)
InChIKeyRDHMZAHAQVDGPK-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.93
Rot. Bonds4

About 7-chloro-N-(3-ethoxycyclobutyl)-1,3-benzothiazol-2-amine

7-chloro-N-(3-ethoxycyclobutyl)-1,3-benzothiazol-2-amine (PubChem CID 114119919) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 7-chloro-N-(3-ethoxycyclobutyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-N-(3-ethoxycyclobutyl)-1,3-benzothiazol-2-amine
PubChem CID114119919
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name7-chloro-N-(3-ethoxycyclobutyl)-1,3-benzothiazol-2-amine
SMILESCCOC1CC(Nc2nc3cccc(Cl)c3s2)C1
InChIInChI=1S/C13H15ClN2OS/c1-2-17-9-6-8(7-9)15-13-16-11-5-3-4-10(14)12(11)18-13/h3-5,8-9H,2,6-7H2,1H3,(H,15,16)
InChIKeyRDHMZAHAQVDGPK-UHFFFAOYSA-N
XLogP3.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-ethoxycyclobutyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-N-(3-ethoxycyclobutyl)-1,3-benzothiazol-2-amine (CID 114119919) is 7-chloro-N-(3-ethoxycyclobutyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-N-(3-ethoxycyclobutyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-N-(3-ethoxycyclobutyl)-1,3-benzothiazol-2-amine is CCOC1CC(Nc2nc3cccc(Cl)c3s2)C1.
What is the InChIKey of 7-chloro-N-(3-ethoxycyclobutyl)-1,3-benzothiazol-2-amine?
The InChIKey is RDHMZAHAQVDGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-2-17-9-6-8(7-9)15-13-16-11-5-3-4-10(14)12(11)18-13/h3-5,8-9H,2,6-7H2,1H3,(H,15,16).
What are the key properties of 7-chloro-N-(3-ethoxycyclobutyl)-1,3-benzothiazol-2-amine?
7-chloro-N-(3-ethoxycyclobutyl)-1,3-benzothiazol-2-amine has a molecular weight of 282.80 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-ethoxycyclobutyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114119919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).