4-ethyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine

C17H28N2OS — CID 79908327

IUPAC4-ethyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc3c(s2)C(C)(C)OC3(C)C)CC1
InChIInChI=1S/C17H28N2OS/c1-6-11-7-9-17(18,10-8-11)14-19-12-13(21-14)16(4,5)20-15(12,2)3/h11H,6-10,18H2,1-5H3
InChIKeyMVGFNQWXRDIJDZ-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.40
Rot. Bonds2

About 4-ethyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine

4-ethyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine (PubChem CID 79908327) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 4-ethyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine
PubChem CID79908327
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name4-ethyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc3c(s2)C(C)(C)OC3(C)C)CC1
InChIInChI=1S/C17H28N2OS/c1-6-11-7-9-17(18,10-8-11)14-19-12-13(21-14)16(4,5)20-15(12,2)3/h11H,6-10,18H2,1-5H3
InChIKeyMVGFNQWXRDIJDZ-UHFFFAOYSA-N
XLogP4.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine (CID 79908327) is 4-ethyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine is CCC1CCC(N)(c2nc3c(s2)C(C)(C)OC3(C)C)CC1.
What is the InChIKey of 4-ethyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is MVGFNQWXRDIJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-6-11-7-9-17(18,10-8-11)14-19-12-13(21-14)16(4,5)20-15(12,2)3/h11H,6-10,18H2,1-5H3.
What are the key properties of 4-ethyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine?
4-ethyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 308.49 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 79908327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).