2-cyclohexyl-N-(1,3-thiazol-5-ylmethyl)ethanamine

C12H20N2S — CID 62759454

IUPAC2-cyclohexyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESc1ncc(CNCCC2CCCCC2)s1
InChIInChI=1S/C12H20N2S/c1-2-4-11(5-3-1)6-7-13-8-12-9-14-10-15-12/h9-11,13H,1-8H2
InChIKeyVLAFNNKNCYYZMK-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.20
Rot. Bonds5

About 2-cyclohexyl-N-(1,3-thiazol-5-ylmethyl)ethanamine

2-cyclohexyl-N-(1,3-thiazol-5-ylmethyl)ethanamine (PubChem CID 62759454) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-cyclohexyl-N-(1,3-thiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
PubChem CID62759454
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-cyclohexyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESc1ncc(CNCCC2CCCCC2)s1
InChIInChI=1S/C12H20N2S/c1-2-4-11(5-3-1)6-7-13-8-12-9-14-10-15-12/h9-11,13H,1-8H2
InChIKeyVLAFNNKNCYYZMK-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-((2-methylthiazol-5-yl)methyl)adamantan-1-amine
CID 54868672
2,2,3-trimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 91650456
N'-(cyclohexylmethyl)-N,N-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 126804159
n-(Thiazol-5-ylmethyl)cyclopentanamine
CID 62759023
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 54883385
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 54883527
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 54883528
N-(1,3-thiazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 55109811
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 61686724
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 61686725
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 61686769
N-(1,3-thiazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 62758689

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-cyclohexyl-N-(1,3-thiazol-5-ylmethyl)ethanamine (CID 62759454) is 2-cyclohexyl-N-(1,3-thiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-N-(1,3-thiazol-5-ylmethyl)ethanamine is c1ncc(CNCCC2CCCCC2)s1.
What is the InChIKey of 2-cyclohexyl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The InChIKey is VLAFNNKNCYYZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-4-11(5-3-1)6-7-13-8-12-9-14-10-15-12/h9-11,13H,1-8H2.
What are the key properties of 2-cyclohexyl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
2-cyclohexyl-N-(1,3-thiazol-5-ylmethyl)ethanamine has a molecular weight of 224.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(1,3-thiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 62759454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).