N-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C12H22N2OS — CID 63826687

IUPACN-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCCOC2CCCCC2)S1
InChIInChI=1S/C12H22N2OS/c1-10-9-14-12(16-10)13-7-8-15-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyTVXRSQFPSMWSRC-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.42
Rot. Bonds4

About N-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63826687) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63826687
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCCOC2CCCCC2)S1
InChIInChI=1S/C12H22N2OS/c1-10-9-14-12(16-10)13-7-8-15-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyTVXRSQFPSMWSRC-UHFFFAOYSA-N
XLogP2.42
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 43439610
N-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361644
5-methyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 80612269
N-(2-cyclopentyloxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250913
N-(2-cyclohexyloxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79503429
N-(2-cycloheptyloxyethyl)-4-methylcyclohexan-1-amine
CID 62583471
N-(2-cyclohexyloxyethyl)-1,3-thiazol-2-amine
CID 61063883
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 106049507
5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 80686490
5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278347
N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65273869

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 63826687) is N-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NCCOC2CCCCC2)S1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is TVXRSQFPSMWSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-10-9-14-12(16-10)13-7-8-15-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,13,14).
What are the key properties of N-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63826687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).