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

C12H23N3OS — CID 62750089

IUPAC5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1cnc(N(C)CC(C)C)s1
InChIInChI=1S/C12H23N3OS/c1-10(2)9-15(3)12-14-8-11(17-12)7-13-5-6-16-4/h8,10,13H,5-7,9H2,1-4H3
InChIKeyNJVSFXYUDMUMNR-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.97
Rot. Bonds8

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

5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 62750089) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID62750089
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1cnc(N(C)CC(C)C)s1
InChIInChI=1S/C12H23N3OS/c1-10(2)9-15(3)12-14-8-11(17-12)7-13-5-6-16-4/h8,10,13H,5-7,9H2,1-4H3
InChIKeyNJVSFXYUDMUMNR-UHFFFAOYSA-N
XLogP1.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.97
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

5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 62754965
5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62753080
N,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62750412
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine
CID 79490864
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 107509678
N-(3-methoxypropyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63009419
N-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62752743
N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62751285
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazol-2-amine
CID 62753971
N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62752523
5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82966301
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62752928

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine (CID 62750089) is 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine is COCCNCc1cnc(N(C)CC(C)C)s1.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is NJVSFXYUDMUMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-10(2)9-15(3)12-14-8-11(17-12)7-13-5-6-16-4/h8,10,13H,5-7,9H2,1-4H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 257.40 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62750089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).