5-tert-butyl-N-(1-ethoxypropan-2-yl)-1,3-thiazol-2-amine

C12H22N2OS — CID 58523981

IUPAC5-tert-butyl-N-(1-ethoxypropan-2-yl)-1,3-thiazol-2-amine
SMILESCCOCC(C)Nc1ncc(C(C)(C)C)s1
InChIInChI=1S/C12H22N2OS/c1-6-15-8-9(2)14-11-13-7-10(16-11)12(3,4)5/h7,9H,6,8H2,1-5H3,(H,13,14)
InChIKeyIVAMVQLSXXIXNV-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.28
Rot. Bonds5

About 5-tert-butyl-N-(1-ethoxypropan-2-yl)-1,3-thiazol-2-amine

5-tert-butyl-N-(1-ethoxypropan-2-yl)-1,3-thiazol-2-amine (PubChem CID 58523981) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 5-tert-butyl-N-(1-ethoxypropan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(1-ethoxypropan-2-yl)-1,3-thiazol-2-amine
PubChem CID58523981
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name5-tert-butyl-N-(1-ethoxypropan-2-yl)-1,3-thiazol-2-amine
SMILESCCOCC(C)Nc1ncc(C(C)(C)C)s1
InChIInChI=1S/C12H22N2OS/c1-6-15-8-9(2)14-11-13-7-10(16-11)12(3,4)5/h7,9H,6,8H2,1-5H3,(H,13,14)
InChIKeyIVAMVQLSXXIXNV-UHFFFAOYSA-N
XLogP3.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(1-ethoxypropan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-(1-ethoxypropan-2-yl)-1,3-thiazol-2-amine (CID 58523981) is 5-tert-butyl-N-(1-ethoxypropan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(1-ethoxypropan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-(1-ethoxypropan-2-yl)-1,3-thiazol-2-amine is CCOCC(C)Nc1ncc(C(C)(C)C)s1.
What is the InChIKey of 5-tert-butyl-N-(1-ethoxypropan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is IVAMVQLSXXIXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-6-15-8-9(2)14-11-13-7-10(16-11)12(3,4)5/h7,9H,6,8H2,1-5H3,(H,13,14).
What are the key properties of 5-tert-butyl-N-(1-ethoxypropan-2-yl)-1,3-thiazol-2-amine?
5-tert-butyl-N-(1-ethoxypropan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 242.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(1-ethoxypropan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58523981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).