N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine

C15H24N2OS — CID 62542086

IUPACN-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1nc2c(s1)CCC2)C1CCCC1
InChIInChI=1S/C15H24N2OS/c1-18-10-9-16-14(11-5-2-3-6-11)15-17-12-7-4-8-13(12)19-15/h11,14,16H,2-10H2,1H3
InChIKeyBKVKBYJXMTURJY-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.10
Rot. Bonds6

About N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine

N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine (PubChem CID 62542086) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine
PubChem CID62542086
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1nc2c(s1)CCC2)C1CCCC1
InChIInChI=1S/C15H24N2OS/c1-18-10-9-16-14(11-5-2-3-6-11)15-17-12-7-4-8-13(12)19-15/h11,14,16H,2-10H2,1H3
InChIKeyBKVKBYJXMTURJY-UHFFFAOYSA-N
XLogP3.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.10
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-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine
CID 62541901
N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 62071955
N-(2-methoxyethyl)-2,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
CID 62541576
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62542082
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 79569279
N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propyl]cyclopropanamine
CID 61333321
N-[oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 62385438
1-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 62633494
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
CID 62541934
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)cyclopentan-1-amine
CID 62542255
N-(2-methoxyethyl)-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 62541742
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine
CID 62542108

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine (CID 62542086) is N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine is COCCNC(c1nc2c(s1)CCC2)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is BKVKBYJXMTURJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-18-10-9-16-14(11-5-2-3-6-11)15-17-12-7-4-8-13(12)19-15/h11,14,16H,2-10H2,1H3.
What are the key properties of N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine?
N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 280.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 62542086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).