4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine

C16H29N3OS — CID 65077598

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine
SMILESCCN1CCCC(NCCOC)(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C16H29N3OS/c1-5-19-10-6-7-16(8-11-19,17-9-12-20-4)15-18-13(2)14(3)21-15/h17H,5-12H2,1-4H3
InChIKeyBTKNBTFNLZMSEG-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.70
Rot. Bonds6

About 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine

4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine (PubChem CID 65077598) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine
PubChem CID65077598
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine
SMILESCCN1CCCC(NCCOC)(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C16H29N3OS/c1-5-19-10-6-7-16(8-11-19,17-9-12-20-4)15-18-13(2)14(3)21-15/h17H,5-12H2,1-4H3
InChIKeyBTKNBTFNLZMSEG-UHFFFAOYSA-N
XLogP2.70
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.70
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

1-ethyl-N-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)azepan-4-amine
CID 65077549
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylcyclohexan-1-amine
CID 62544284
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1,1-dioxothian-3-amine
CID 63922480
N,1-diethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)azepan-4-amine
CID 65077498
1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine
CID 65078039
N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
CID 65074914
3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 62543138
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine
CID 61334576
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-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylcyclobutan-1-amine
CID 61331332
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-propan-2-ylazepan-4-amine
CID 65077839

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine (CID 65077598) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine is CCN1CCCC(NCCOC)(c2nc(C)c(C)s2)CC1.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine?
The InChIKey is BTKNBTFNLZMSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-5-19-10-6-7-16(8-11-19,17-9-12-20-4)15-18-13(2)14(3)21-15/h17H,5-12H2,1-4H3.
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine?
4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine has a molecular weight of 311.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-N-(2-methoxyethyl)azepan-4-amine is sourced from PubChem (CID 65077598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).