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

C16H26N2OS — CID 79916566

IUPAC3-methyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc3c(s2)C(C)(C)OC3(C)C)C1
InChIInChI=1S/C16H26N2OS/c1-10-7-6-8-16(17,9-10)13-18-11-12(20-13)15(4,5)19-14(11,2)3/h10H,6-9,17H2,1-5H3
InChIKeyDGFRJYYPBBGHSD-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.01
Rot. Bonds1

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

3-methyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine (PubChem CID 79916566) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 3-methyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine
PubChem CID79916566
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name3-methyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc3c(s2)C(C)(C)OC3(C)C)C1
InChIInChI=1S/C16H26N2OS/c1-10-7-6-8-16(17,9-10)13-18-11-12(20-13)15(4,5)19-14(11,2)3/h10H,6-9,17H2,1-5H3
InChIKeyDGFRJYYPBBGHSD-UHFFFAOYSA-N
XLogP4.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-methyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine (CID 79916566) is 3-methyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-methyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine is CC1CCCC(N)(c2nc3c(s2)C(C)(C)OC3(C)C)C1.
What is the InChIKey of 3-methyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is DGFRJYYPBBGHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-10-7-6-8-16(17,9-10)13-18-11-12(20-13)15(4,5)19-14(11,2)3/h10H,6-9,17H2,1-5H3.
What are the key properties of 3-methyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine?
3-methyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 294.46 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 79916566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).