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

C11H18N2OS — CID 116502767

IUPAC2-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCOCC(C)c1nc2c(s1)CCCC2N
InChIInChI=1S/C11H18N2OS/c1-7(6-14-2)11-13-10-8(12)4-3-5-9(10)15-11/h7-8H,3-6,12H2,1-2H3
InChIKeyGIELDESOVHOZHE-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.23
Rot. Bonds3

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

2-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 116502767) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID116502767
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCOCC(C)c1nc2c(s1)CCCC2N
InChIInChI=1S/C11H18N2OS/c1-7(6-14-2)11-13-10-8(12)4-3-5-9(10)15-11/h7-8H,3-6,12H2,1-2H3
InChIKeyGIELDESOVHOZHE-UHFFFAOYSA-N
XLogP2.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 116502767) is 2-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is COCC(C)c1nc2c(s1)CCCC2N.
What is the InChIKey of 2-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is GIELDESOVHOZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7(6-14-2)11-13-10-8(12)4-3-5-9(10)15-11/h7-8H,3-6,12H2,1-2H3.
What are the key properties of 2-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 226.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 116502767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).