1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine

C16H30N2OS — CID 62544291

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine
SMILESCCCCCCC(NCCOC)c1nc(CC)c(C)s1
InChIInChI=1S/C16H30N2OS/c1-5-7-8-9-10-15(17-11-12-19-4)16-18-14(6-2)13(3)20-16/h15,17H,5-12H2,1-4H3
InChIKeyRDCVGLVEGHAESK-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.26
Rot. Bonds11

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

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine (PubChem CID 62544291) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine
PubChem CID62544291
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine
SMILESCCCCCCC(NCCOC)c1nc(CC)c(C)s1
InChIInChI=1S/C16H30N2OS/c1-5-7-8-9-10-15(17-11-12-19-4)16-18-14(6-2)13(3)20-16/h15,17H,5-12H2,1-4H3
InChIKeyRDCVGLVEGHAESK-UHFFFAOYSA-N
XLogP4.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine (CID 62544291) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine is CCCCCCC(NCCOC)c1nc(CC)c(C)s1.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine?
The InChIKey is RDCVGLVEGHAESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-5-7-8-9-10-15(17-11-12-19-4)16-18-14(6-2)13(3)20-16/h15,17H,5-12H2,1-4H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine has a molecular weight of 298.50 g/mol, XLogP of 4.26, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine is sourced from PubChem (CID 62544291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).