2-(1-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C10H16N2OS — CID 79616010

IUPAC2-(1-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCOC(C)c1nc2c(s1)C(N)CCC2
InChIInChI=1S/C10H16N2OS/c1-6(13-2)10-12-8-5-3-4-7(11)9(8)14-10/h6-7H,3-5,11H2,1-2H3
InChIKeyUWOZLUVXMXKQJM-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.19
Rot. Bonds2

About 2-(1-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-(1-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 79616010) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(1-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID79616010
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(1-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCOC(C)c1nc2c(s1)C(N)CCC2
InChIInChI=1S/C10H16N2OS/c1-6(13-2)10-12-8-5-3-4-7(11)9(8)14-10/h6-7H,3-5,11H2,1-2H3
InChIKeyUWOZLUVXMXKQJM-UHFFFAOYSA-N
XLogP2.19
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(1-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 79616010) is 2-(1-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(1-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(1-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is COC(C)c1nc2c(s1)C(N)CCC2.
What is the InChIKey of 2-(1-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is UWOZLUVXMXKQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-6(13-2)10-12-8-5-3-4-7(11)9(8)14-10/h6-7H,3-5,11H2,1-2H3.
What are the key properties of 2-(1-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(1-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 212.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 79616010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).