2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine

C14H27N3OS — CID 82435372

IUPAC2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
SMILESCOCCNCc1sc(CCN(C)C)nc1C(C)C
InChIInChI=1S/C14H27N3OS/c1-11(2)14-12(10-15-7-9-18-5)19-13(16-14)6-8-17(3)4/h11,15H,6-10H2,1-5H3
InChIKeyPWMPUODCDZFINS-UHFFFAOYSA-N
MW285.46 g/mol
LogP2.11
Rot. Bonds9

About 2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine

2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine (PubChem CID 82435372) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
PubChem CID82435372
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
SMILESCOCCNCc1sc(CCN(C)C)nc1C(C)C
InChIInChI=1S/C14H27N3OS/c1-11(2)14-12(10-15-7-9-18-5)19-13(16-14)6-8-17(3)4/h11,15H,6-10H2,1-5H3
InChIKeyPWMPUODCDZFINS-UHFFFAOYSA-N
XLogP2.11
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.11
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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Related Compounds

2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82435380
5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382219
N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82434552
5-(bromomethyl)-2-(2-methoxyethyl)-4-propan-2-yl-1,3-thiazole
CID 82433749
2-methoxy-N-[(4-propan-2-yl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82435064
N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82431543
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428482
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382131
N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767611
N-[[4-tert-butyl-2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82439489
N-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 113247542
2-methyl-N-[(4-propan-2-yl-2-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82433844

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine (CID 82435372) is 2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine is COCCNCc1sc(CCN(C)C)nc1C(C)C.
What is the InChIKey of 2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
The InChIKey is PWMPUODCDZFINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-11(2)14-12(10-15-7-9-18-5)19-13(16-14)6-8-17(3)4/h11,15H,6-10H2,1-5H3.
What are the key properties of 2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine has a molecular weight of 285.46 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 82435372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).