N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine

C14H25N3OS — CID 62751285

IUPACN-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(c1ncc(CNCCOC)s1)C1CCCC1
InChIInChI=1S/C14H25N3OS/c1-3-17(12-6-4-5-7-12)14-16-11-13(19-14)10-15-8-9-18-2/h11-12,15H,3-10H2,1-2H3
InChIKeyVPJFEYGCUBJDFV-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.65
Rot. Bonds8

About N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine

N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 62751285) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID62751285
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(c1ncc(CNCCOC)s1)C1CCCC1
InChIInChI=1S/C14H25N3OS/c1-3-17(12-6-4-5-7-12)14-16-11-13(19-14)10-15-8-9-18-2/h11-12,15H,3-10H2,1-2H3
InChIKeyVPJFEYGCUBJDFV-UHFFFAOYSA-N
XLogP2.65
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine (CID 62751285) is N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine is CCN(c1ncc(CNCCOC)s1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is VPJFEYGCUBJDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-3-17(12-6-4-5-7-12)14-16-11-13(19-14)10-15-8-9-18-2/h11-12,15H,3-10H2,1-2H3.
What are the key properties of N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62751285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).