N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine

C14H25N3OS — CID 65074914

IUPACN-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
SMILESCOCCNC1(c2nc(C)cs2)CCCN(C)CC1
InChIInChI=1S/C14H25N3OS/c1-12-11-19-13(16-12)14(15-7-10-18-3)5-4-8-17(2)9-6-14/h11,15H,4-10H2,1-3H3
InChIKeyOWJWYMKQCDKLSA-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.00
Rot. Bonds5

About N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine

N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine (PubChem CID 65074914) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
PubChem CID65074914
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
SMILESCOCCNC1(c2nc(C)cs2)CCCN(C)CC1
InChIInChI=1S/C14H25N3OS/c1-12-11-19-13(16-12)14(15-7-10-18-3)5-4-8-17(2)9-6-14/h11,15H,4-10H2,1-3H3
InChIKeyOWJWYMKQCDKLSA-UHFFFAOYSA-N
XLogP2.00
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)azepan-4-amine
CID 65074915
N-cyclopropyl-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
CID 65074762
N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 64751515
N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 62544746
N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 62542954
N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 65050193
4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine
CID 65077598
1-ethyl-N-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)azepan-4-amine
CID 65077549
N-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1-propylazepan-4-amine
CID 65077349
N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine
CID 114819099
N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine
CID 62542274
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)cyclopentan-1-amine
CID 62542255

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine?
The IUPAC name of N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine (CID 65074914) is N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine is COCCNC1(c2nc(C)cs2)CCCN(C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine?
The InChIKey is OWJWYMKQCDKLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-12-11-19-13(16-12)14(15-7-10-18-3)5-4-8-17(2)9-6-14/h11,15H,4-10H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine?
N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine has a molecular weight of 283.44 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine is sourced from PubChem (CID 65074914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).