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

C12H20N2S2 — CID 79847182

IUPAC2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexan-1-amine
SMILESCc1csc(SC2CCCC(C)(C)C2N)n1
InChIInChI=1S/C12H20N2S2/c1-8-7-15-11(14-8)16-9-5-4-6-12(2,3)10(9)13/h7,9-10H,4-6,13H2,1-3H3
InChIKeyVRFLHYFXLYUFED-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.45
Rot. Bonds2

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

2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexan-1-amine (PubChem CID 79847182) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexan-1-amine
PubChem CID79847182
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexan-1-amine
SMILESCc1csc(SC2CCCC(C)(C)C2N)n1
InChIInChI=1S/C12H20N2S2/c1-8-7-15-11(14-8)16-9-5-4-6-12(2,3)10(9)13/h7,9-10H,4-6,13H2,1-3H3
InChIKeyVRFLHYFXLYUFED-UHFFFAOYSA-N
XLogP3.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexan-1-amine (CID 79847182) is 2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexan-1-amine is Cc1csc(SC2CCCC(C)(C)C2N)n1.
What is the InChIKey of 2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexan-1-amine?
The InChIKey is VRFLHYFXLYUFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-8-7-15-11(14-8)16-9-5-4-6-12(2,3)10(9)13/h7,9-10H,4-6,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexan-1-amine?
2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexan-1-amine has a molecular weight of 256.44 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexan-1-amine is sourced from PubChem (CID 79847182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).