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

C13H22N2O2S — CID 82837780

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxolan-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1nc(C)c(C)s1)C1CCCO1
InChIInChI=1S/C13H22N2O2S/c1-9-10(2)18-13(15-9)12(14-6-8-16-3)11-5-4-7-17-11/h11-12,14H,4-8H2,1-3H3
InChIKeyIUTMXWDHXOCSCZ-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.22
Rot. Bonds6

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

N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxolan-2-yl)methyl]-2-methoxyethanamine (PubChem CID 82837780) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxolan-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxolan-2-yl)methyl]-2-methoxyethanamine
PubChem CID82837780
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxolan-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1nc(C)c(C)s1)C1CCCO1
InChIInChI=1S/C13H22N2O2S/c1-9-10(2)18-13(15-9)12(14-6-8-16-3)11-5-4-7-17-11/h11-12,14H,4-8H2,1-3H3
InChIKeyIUTMXWDHXOCSCZ-UHFFFAOYSA-N
XLogP2.22
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.22
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-(2-methoxyethylamino)-2-(oxolan-2-yl)ethanol
CID 82837239
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 55156590
4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine
CID 65169694
2-(2-methoxyethylamino)-2-(oxolan-2-yl)acetic acid
CID 82838234
4-methoxy-N-[1-(oxolan-2-yl)ethyl]butan-1-amine
CID 104531009
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 62544757
(1R)-N-(2-methoxyethyl)-1-[(2S)-oxolan-2-yl]-2-phenylethanamine
CID 125486090
N-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine
CID 62541901
N-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62544919
N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542086
N-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542963
N',N'-bis(2-methoxyethyl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62561783

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxolan-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxolan-2-yl)methyl]-2-methoxyethanamine (CID 82837780) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxolan-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxolan-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxolan-2-yl)methyl]-2-methoxyethanamine is COCCNC(c1nc(C)c(C)s1)C1CCCO1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxolan-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is IUTMXWDHXOCSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9-10(2)18-13(15-9)12(14-6-8-16-3)11-5-4-7-17-11/h11-12,14H,4-8H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxolan-2-yl)methyl]-2-methoxyethanamine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxolan-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 270.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxolan-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 82837780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).