1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine

C13H24N2OS — CID 116715677

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine
SMILESCCNC(Cc1nc(C)c(C)s1)C(CC)OC
InChIInChI=1S/C13H24N2OS/c1-6-12(16-5)11(14-7-2)8-13-15-9(3)10(4)17-13/h11-12,14H,6-8H2,1-5H3
InChIKeyCXJFNEIQRSSFHF-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.71
Rot. Bonds7

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine (PubChem CID 116715677) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine
PubChem CID116715677
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine
SMILESCCNC(Cc1nc(C)c(C)s1)C(CC)OC
InChIInChI=1S/C13H24N2OS/c1-6-12(16-5)11(14-7-2)8-13-15-9(3)10(4)17-13/h11-12,14H,6-8H2,1-5H3
InChIKeyCXJFNEIQRSSFHF-UHFFFAOYSA-N
XLogP2.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxy-N-methylhexan-2-amine
CID 116718790
N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116715655
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-5-methoxyhexan-2-amine
CID 105171727
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3-diethyl-3-methoxypentan-2-amine
CID 116761111
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065910
N-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine
CID 116715729
[1-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxypropan-2-yl]hydrazine
CID 105272640
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721640
1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 105019919
1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454583
N-ethyl-3-methoxy-1-(3-methylphenyl)pentan-2-amine
CID 116715829
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 105019741

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine (CID 116715677) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine is CCNC(Cc1nc(C)c(C)s1)C(CC)OC.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine?
The InChIKey is CXJFNEIQRSSFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-6-12(16-5)11(14-7-2)8-13-15-9(3)10(4)17-13/h11-12,14H,6-8H2,1-5H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine has a molecular weight of 256.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine is sourced from PubChem (CID 116715677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).