N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine

C9H16N2OS — CID 46784794

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(C)c(C)s1
InChIInChI=1S/C9H16N2OS/c1-7-8(2)13-9(11-7)6-10-4-5-12-3/h10H,4-6H2,1-3H3
InChIKeyUVLDFYJQHZNCET-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.50
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (PubChem CID 46784794) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
PubChem CID46784794
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc(C)c(C)s1
InChIInChI=1S/C9H16N2OS/c1-7-8(2)13-9(11-7)6-10-4-5-12-3/h10H,4-6H2,1-3H3
InChIKeyUVLDFYJQHZNCET-UHFFFAOYSA-N
XLogP1.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (CID 46784794) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is COCCNCc1nc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is UVLDFYJQHZNCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7-8(2)13-9(11-7)6-10-4-5-12-3/h10H,4-6H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 200.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 46784794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).