3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine

C12H22N2OS — CID 116717476

IUPAC3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine
SMILESCCCC(OCC)C(N)Cc1nc(C)cs1
InChIInChI=1S/C12H22N2OS/c1-4-6-11(15-5-2)10(13)7-12-14-9(3)8-16-12/h8,10-11H,4-7,13H2,1-3H3
InChIKeyAMPQRVMDMCGARU-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.53
Rot. Bonds7

About 3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine

3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine (PubChem CID 116717476) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine
PubChem CID116717476
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine
SMILESCCCC(OCC)C(N)Cc1nc(C)cs1
InChIInChI=1S/C12H22N2OS/c1-4-6-11(15-5-2)10(13)7-12-14-9(3)8-16-12/h8,10-11H,4-7,13H2,1-3H3
InChIKeyAMPQRVMDMCGARU-UHFFFAOYSA-N
XLogP2.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 94605824
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol
CID 115824197
1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 62796871
3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine
CID 116718491
3-ethoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 116727125
3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 105019405
5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol
CID 105117704
[3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-yl]hydrazine
CID 105271499
3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol
CID 116711385
2-ethyl-4-methyl-1,3-thiazole
CID 27440
1-(2-bromophenyl)-3-ethoxyhexan-2-amine
CID 116717551

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine?
The IUPAC name of 3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine (CID 116717476) is 3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine?
The canonical SMILES for 3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine is CCCC(OCC)C(N)Cc1nc(C)cs1.
What is the InChIKey of 3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine?
The InChIKey is AMPQRVMDMCGARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-6-11(15-5-2)10(13)7-12-14-9(3)8-16-12/h8,10-11H,4-7,13H2,1-3H3.
What are the key properties of 3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine?
3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine is sourced from PubChem (CID 116717476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).