2-ethoxy-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

C12H20N2OS — CID 68865964

IUPAC2-ethoxy-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESCCCNC1CCc2nc(OCC)sc2C1
InChIInChI=1S/C12H20N2OS/c1-3-7-13-9-5-6-10-11(8-9)16-12(14-10)15-4-2/h9,13H,3-8H2,1-2H3
InChIKeyMQMIMDZZPWZAKK-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.40
Rot. Bonds5

About 2-ethoxy-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

2-ethoxy-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (PubChem CID 68865964) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-ethoxy-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-ethoxy-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
PubChem CID68865964
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-ethoxy-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESCCCNC1CCc2nc(OCC)sc2C1
InChIInChI=1S/C12H20N2OS/c1-3-7-13-9-5-6-10-11(8-9)16-12(14-10)15-4-2/h9,13H,3-8H2,1-2H3
InChIKeyMQMIMDZZPWZAKK-UHFFFAOYSA-N
XLogP2.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The IUPAC name of 2-ethoxy-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (CID 68865964) is 2-ethoxy-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-ethoxy-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-ethoxy-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is CCCNC1CCc2nc(OCC)sc2C1.
What is the InChIKey of 2-ethoxy-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The InChIKey is MQMIMDZZPWZAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-7-13-9-5-6-10-11(8-9)16-12(14-10)15-4-2/h9,13H,3-8H2,1-2H3.
What are the key properties of 2-ethoxy-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
2-ethoxy-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine has a molecular weight of 240.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is sourced from PubChem (CID 68865964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).