1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2,4-dimethylcyclohexan-1-amine

C17H28N2OS — CID 64756414

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2,4-dimethylcyclohexan-1-amine
SMILESCOCCNC1(c2nc3c(s2)CCC3)CCC(C)CC1C
InChIInChI=1S/C17H28N2OS/c1-12-7-8-17(13(2)11-12,18-9-10-20-3)16-19-14-5-4-6-15(14)21-16/h12-13,18H,4-11H2,1-3H3
InChIKeyGCXVGIPBRPJNQX-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.52
Rot. Bonds5

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2,4-dimethylcyclohexan-1-amine

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2,4-dimethylcyclohexan-1-amine (PubChem CID 64756414) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2,4-dimethylcyclohexan-1-amine
PubChem CID64756414
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2,4-dimethylcyclohexan-1-amine
SMILESCOCCNC1(c2nc3c(s2)CCC3)CCC(C)CC1C
InChIInChI=1S/C17H28N2OS/c1-12-7-8-17(13(2)11-12,18-9-10-20-3)16-19-14-5-4-6-15(14)21-16/h12-13,18H,4-11H2,1-3H3
InChIKeyGCXVGIPBRPJNQX-UHFFFAOYSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 62541742
N-(2-methoxyethyl)-2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine
CID 82718173
4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365679
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)cyclopentan-1-amine
CID 62542255
N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine
CID 62541738
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dimethyl-N-propylcyclohexan-1-amine
CID 64755799
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81304117
N-ethyl-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 61331038
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
CID 64513823
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,2,5-trimethylcyclohexan-1-amine
CID 64755999
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethyl-N-propylcyclohexan-1-amine
CID 64755391
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine
CID 62543641

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2,4-dimethylcyclohexan-1-amine (CID 64756414) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2,4-dimethylcyclohexan-1-amine is COCCNC1(c2nc3c(s2)CCC3)CCC(C)CC1C.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2,4-dimethylcyclohexan-1-amine?
The InChIKey is GCXVGIPBRPJNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-12-7-8-17(13(2)11-12,18-9-10-20-3)16-19-14-5-4-6-15(14)21-16/h12-13,18H,4-11H2,1-3H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2,4-dimethylcyclohexan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2,4-dimethylcyclohexan-1-amine has a molecular weight of 308.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64756414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).