N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine

C16H29N3OS — CID 71885865

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine
SMILESCC1CN(CCNCc2csc(C(C)(C)C)n2)CC(C)O1
InChIInChI=1S/C16H29N3OS/c1-12-9-19(10-13(2)20-12)7-6-17-8-14-11-21-15(18-14)16(3,4)5/h11-13,17H,6-10H2,1-5H3
InChIKeyLTYXQFJXOPSFLS-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.64
Rot. Bonds5

About N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine (PubChem CID 71885865) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine
PubChem CID71885865
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine
SMILESCC1CN(CCNCc2csc(C(C)(C)C)n2)CC(C)O1
InChIInChI=1S/C16H29N3OS/c1-12-9-19(10-13(2)20-12)7-6-17-8-14-11-21-15(18-14)16(3,4)5/h11-13,17H,6-10H2,1-5H3
InChIKeyLTYXQFJXOPSFLS-UHFFFAOYSA-N
XLogP2.64
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.64
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-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine (CID 71885865) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine is CC1CN(CCNCc2csc(C(C)(C)C)n2)CC(C)O1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine?
The InChIKey is LTYXQFJXOPSFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-12-9-19(10-13(2)20-12)7-6-17-8-14-11-21-15(18-14)16(3,4)5/h11-13,17H,6-10H2,1-5H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine has a molecular weight of 311.50 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 71885865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).