[4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine

C15H26N2S2 — CID 43530681

IUPAC[4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
SMILESCc1csc(SC2CC(C(C)(C)C)CCC2CN)n1
InChIInChI=1S/C15H26N2S2/c1-10-9-18-14(17-10)19-13-7-12(15(2,3)4)6-5-11(13)8-16/h9,11-13H,5-8,16H2,1-4H3
InChIKeyJVUFZPVBJAIVFN-UHFFFAOYSA-N
MW298.52 g/mol
LogP4.33
Rot. Bonds3

About [4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine

[4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine (PubChem CID 43530681) has the molecular formula C15H26N2S2 and a molecular weight of 298.52 g/mol. Its IUPAC name is [4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
PubChem CID43530681
Molecular FormulaC15H26N2S2
Molecular Weight298.52 g/mol
Exact Mass298.15
IUPAC Name[4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
SMILESCc1csc(SC2CC(C(C)(C)C)CCC2CN)n1
InChIInChI=1S/C15H26N2S2/c1-10-9-18-14(17-10)19-13-7-12(15(2,3)4)6-5-11(13)8-16/h9,11-13H,5-8,16H2,1-4H3
InChIKeyJVUFZPVBJAIVFN-UHFFFAOYSA-N
XLogP4.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine with MolForge

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Related Compounds

4-Tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 43293178
4-(2-Methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 43293179
[2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentyl]methanamine
CID 43530674
[2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine
CID 43530675
[4-Ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
CID 43530676
[4-Methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
CID 43530677
[2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]cycloheptyl]methanamine
CID 43530678
[2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
CID 43530679
[4-(2-Methylbutan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
CID 43530680
2-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 54913023
2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine
CID 55092533
1-(2-Ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55252390

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine (CID 43530681) is [4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine is Cc1csc(SC2CC(C(C)(C)C)CCC2CN)n1.
What is the InChIKey of [4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The InChIKey is JVUFZPVBJAIVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S2/c1-10-9-18-14(17-10)19-13-7-12(15(2,3)4)6-5-11(13)8-16/h9,11-13H,5-8,16H2,1-4H3.
What are the key properties of [4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
[4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine has a molecular weight of 298.52 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine is sourced from PubChem (CID 43530681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).