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

C15H29N3OS — CID 62750412

IUPACN,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCCCN(CCCC)c1ncc(CNCCOC)s1
InChIInChI=1S/C15H29N3OS/c1-4-6-9-18(10-7-5-2)15-17-13-14(20-15)12-16-8-11-19-3/h13,16H,4-12H2,1-3H3
InChIKeyMCDBSYAJPYJAAE-UHFFFAOYSA-N
MW299.48 g/mol
LogP3.29
Rot. Bonds12

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

N,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 62750412) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is N,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID62750412
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC NameN,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCCCN(CCCC)c1ncc(CNCCOC)s1
InChIInChI=1S/C15H29N3OS/c1-4-6-9-18(10-7-5-2)15-17-13-14(20-15)12-16-8-11-19-3/h13,16H,4-12H2,1-3H3
InChIKeyMCDBSYAJPYJAAE-UHFFFAOYSA-N
XLogP3.29
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 53.29
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,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine (CID 62750412) is N,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine is CCCCN(CCCC)c1ncc(CNCCOC)s1.
What is the InChIKey of N,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is MCDBSYAJPYJAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-4-6-9-18(10-7-5-2)15-17-13-14(20-15)12-16-8-11-19-3/h13,16H,4-12H2,1-3H3.
What are the key properties of N,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
N,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 299.48 g/mol, XLogP of 3.29, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62750412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).