4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine

C12H20N2S2 — CID 64626698

IUPAC4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCCC1CCC(NC)C(Sc2nccs2)C1
InChIInChI=1S/C12H20N2S2/c1-3-9-4-5-10(13-2)11(8-9)16-12-14-6-7-15-12/h6-7,9-11,13H,3-5,8H2,1-2H3
InChIKeyPHLYROYTWJVPSP-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.40
Rot. Bonds4

About 4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine

4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine (PubChem CID 64626698) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
PubChem CID64626698
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCCC1CCC(NC)C(Sc2nccs2)C1
InChIInChI=1S/C12H20N2S2/c1-3-9-4-5-10(13-2)11(8-9)16-12-14-6-7-15-12/h6-7,9-11,13H,3-5,8H2,1-2H3
InChIKeyPHLYROYTWJVPSP-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-propan-2-yl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64626309
4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine
CID 107783843
4-ethyl-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 104604505
4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 64620075
N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide
CID 64648574
N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64735197
4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64627899
N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64648516
trans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol
CID 102735696
N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
CID 64634854
4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64627044
N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine
CID 81032468

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine (CID 64626698) is 4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine is CCC1CCC(NC)C(Sc2nccs2)C1.
What is the InChIKey of 4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is PHLYROYTWJVPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-3-9-4-5-10(13-2)11(8-9)16-12-14-6-7-15-12/h6-7,9-11,13H,3-5,8H2,1-2H3.
What are the key properties of 4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 256.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 64626698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).