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

C14H24N2S2 — CID 43530675

IUPAC[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Sc2nc(C)cs2)C1
InChIInChI=1S/C14H24N2S2/c1-3-4-11-5-6-12(8-15)13(7-11)18-14-16-10(2)9-17-14/h9,11-13H,3-8,15H2,1-2H3
InChIKeyGGCOYYNOKZKLJA-UHFFFAOYSA-N
MW284.49 g/mol
LogP4.09
Rot. Bonds5

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

[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine (PubChem CID 43530675) has the molecular formula C14H24N2S2 and a molecular weight of 284.49 g/mol. Its IUPAC name is [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine
PubChem CID43530675
Molecular FormulaC14H24N2S2
Molecular Weight284.49 g/mol
Exact Mass284.14
IUPAC Name[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Sc2nc(C)cs2)C1
InChIInChI=1S/C14H24N2S2/c1-3-4-11-5-6-12(8-15)13(7-11)18-14-16-10(2)9-17-14/h9,11-13H,3-8,15H2,1-2H3
InChIKeyGGCOYYNOKZKLJA-UHFFFAOYSA-N
XLogP4.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
[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
[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 [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine (CID 43530675) is [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(Sc2nc(C)cs2)C1.
What is the InChIKey of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine?
The InChIKey is GGCOYYNOKZKLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S2/c1-3-4-11-5-6-12(8-15)13(7-11)18-14-16-10(2)9-17-14/h9,11-13H,3-8,15H2,1-2H3.
What are the key properties of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine?
[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine has a molecular weight of 284.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 43530675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).