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

C14H24N2O2S — CID 107511124

IUPAC[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCCC1CCCCCN1c1nc(COC)c(CO)s1
InChIInChI=1S/C14H24N2O2S/c1-3-11-7-5-4-6-8-16(11)14-15-12(10-18-2)13(9-17)19-14/h11,17H,3-10H2,1-2H3
InChIKeyQAJWDNNEBKCKLO-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.94
Rot. Bonds5

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

[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 107511124) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is [2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
PubChem CID107511124
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCCC1CCCCCN1c1nc(COC)c(CO)s1
InChIInChI=1S/C14H24N2O2S/c1-3-11-7-5-4-6-8-16(11)14-15-12(10-18-2)13(9-17)19-14/h11,17H,3-10H2,1-2H3
InChIKeyQAJWDNNEBKCKLO-UHFFFAOYSA-N
XLogP2.94
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.94
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]methanamine
CID 107510725
[4-tert-butyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778480
N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104692540
N-[[4-ethyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62769163
[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 107511144
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511101
methyl 2-(2-ethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306720
[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 104692480
[2-[cyclohexyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107510864
[2-(3,4-dimethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511051
2-(2-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 104692508
2-(2-ethylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62753327

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (CID 107511124) is [2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is CCC1CCCCCN1c1nc(COC)c(CO)s1.
What is the InChIKey of [2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is QAJWDNNEBKCKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-3-11-7-5-4-6-8-16(11)14-15-12(10-18-2)13(9-17)19-14/h11,17H,3-10H2,1-2H3.
What are the key properties of [2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 284.42 g/mol, XLogP of 2.94, 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]methanol is sourced from PubChem (CID 107511124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).