[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine

C14H25N3OS — CID 107510725

IUPAC[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCC1CCCCCN1c1nc(COC)c(CN)s1
InChIInChI=1S/C14H25N3OS/c1-3-11-7-5-4-6-8-17(11)14-16-12(10-18-2)13(9-15)19-14/h11H,3-10,15H2,1-2H3
InChIKeyFTGVDMFXUHROAH-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.91
Rot. Bonds5

About [2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine

[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 107510725) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is [2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID107510725
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCC1CCCCCN1c1nc(COC)c(CN)s1
InChIInChI=1S/C14H25N3OS/c1-3-11-7-5-4-6-8-17(11)14-16-12(10-18-2)13(9-15)19-14/h11H,3-10,15H2,1-2H3
InChIKeyFTGVDMFXUHROAH-UHFFFAOYSA-N
XLogP2.91
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511124
[4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63916547
[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 104692480
N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104692540
[4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 107510397
N-[[4-ethyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62769163
[2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510564
[4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62765484
[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510269
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 102728727
[2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510369
[4-tert-butyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778480

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 107510725) is [2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is CCC1CCCCCN1c1nc(COC)c(CN)s1.
What is the InChIKey of [2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is FTGVDMFXUHROAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-3-11-7-5-4-6-8-17(11)14-16-12(10-18-2)13(9-15)19-14/h11H,3-10,15H2,1-2H3.
What are the key properties of [2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 283.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 107510725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).