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

C13H22N2S2 — CID 43530676

IUPAC[4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Sc2nc(C)cs2)C1
InChIInChI=1S/C13H22N2S2/c1-3-10-4-5-11(7-14)12(6-10)17-13-15-9(2)8-16-13/h8,10-12H,3-7,14H2,1-2H3
InChIKeyBODTWAAGNWCVDT-UHFFFAOYSA-N
MW270.47 g/mol
LogP3.70
Rot. Bonds4

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

[4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine (PubChem CID 43530676) has the molecular formula C13H22N2S2 and a molecular weight of 270.47 g/mol. Its IUPAC name is [4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
PubChem CID43530676
Molecular FormulaC13H22N2S2
Molecular Weight270.47 g/mol
Exact Mass270.12
IUPAC Name[4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Sc2nc(C)cs2)C1
InChIInChI=1S/C13H22N2S2/c1-3-10-4-5-11(7-14)12(6-10)17-13-15-9(2)8-16-13/h8,10-12H,3-7,14H2,1-2H3
InChIKeyBODTWAAGNWCVDT-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(4-Methyl-1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105171626
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
[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-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
[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-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine (CID 43530676) is [4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine is CCC1CCC(CN)C(Sc2nc(C)cs2)C1.
What is the InChIKey of [4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The InChIKey is BODTWAAGNWCVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S2/c1-3-10-4-5-11(7-14)12(6-10)17-13-15-9(2)8-16-13/h8,10-12H,3-7,14H2,1-2H3.
What are the key properties of [4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
[4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine has a molecular weight of 270.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine is sourced from PubChem (CID 43530676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).