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

C12H20N2S2 — CID 43530677

IUPAC[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
SMILESCc1csc(SC2CC(C)CCC2CN)n1
InChIInChI=1S/C12H20N2S2/c1-8-3-4-10(6-13)11(5-8)16-12-14-9(2)7-15-12/h7-8,10-11H,3-6,13H2,1-2H3
InChIKeyCEDKBAKAXVOSJV-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.31
Rot. Bonds3

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

[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine (PubChem CID 43530677) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is [4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
PubChem CID43530677
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
SMILESCc1csc(SC2CC(C)CCC2CN)n1
InChIInChI=1S/C12H20N2S2/c1-8-3-4-10(6-13)11(5-8)16-12-14-9(2)7-15-12/h7-8,10-11H,3-6,13H2,1-2H3
InChIKeyCEDKBAKAXVOSJV-UHFFFAOYSA-N
XLogP3.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexanamine
CID 20378728
4-Ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 43293180
4-Methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 43293181
2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexane-1-carbonitrile
CID 43293185
3-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]pentan-1-amine
CID 43530665
[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
[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
[4-Tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
CID 43530681

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine (CID 43530677) is [4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine is Cc1csc(SC2CC(C)CCC2CN)n1.
What is the InChIKey of [4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The InChIKey is CEDKBAKAXVOSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-8-3-4-10(6-13)11(5-8)16-12-14-9(2)7-15-12/h7-8,10-11H,3-6,13H2,1-2H3.
What are the key properties of [4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine has a molecular weight of 256.44 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine is sourced from PubChem (CID 43530677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).