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

C14H24N2OS — CID 62541934

IUPAC2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
SMILESCOCCNC(C)(c1nc2c(s1)CCC2)C(C)C
InChIInChI=1S/C14H24N2OS/c1-10(2)14(3,15-8-9-17-4)13-16-11-6-5-7-12(11)18-13/h10,15H,5-9H2,1-4H3
InChIKeyAWRUTZAVNOAYJG-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.74
Rot. Bonds6

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

2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine (PubChem CID 62541934) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
PubChem CID62541934
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
SMILESCOCCNC(C)(c1nc2c(s1)CCC2)C(C)C
InChIInChI=1S/C14H24N2OS/c1-10(2)14(3,15-8-9-17-4)13-16-11-6-5-7-12(11)18-13/h10,15H,5-9H2,1-4H3
InChIKeyAWRUTZAVNOAYJG-UHFFFAOYSA-N
XLogP2.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.74
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

2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine
CID 62542108
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
CID 62543799
N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-2-amine
CID 80556446
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-N-propylpentan-3-amine
CID 61334992
N,3-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-amine
CID 61332609
N-(2-methoxyethyl)-2,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
CID 62541576
2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine
CID 61333814
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62542082
N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542086
5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine
CID 63405307
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)cyclopentan-1-amine
CID 62542255
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylpentan-2-yl]cyclopropanamine
CID 61334100

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine (CID 62541934) is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine is COCCNC(C)(c1nc2c(s1)CCC2)C(C)C.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine?
The InChIKey is AWRUTZAVNOAYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(2)14(3,15-8-9-17-4)13-16-11-6-5-7-12(11)18-13/h10,15H,5-9H2,1-4H3.
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine?
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine has a molecular weight of 268.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine is sourced from PubChem (CID 62541934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).