[4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine

C10H16N2O2S — CID 62443830

IUPAC[4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(COCC2CCCO2)cs1
InChIInChI=1S/C10H16N2O2S/c11-4-10-12-8(7-15-10)5-13-6-9-2-1-3-14-9/h7,9H,1-6,11H2
InChIKeyRPUXHNWENRYQCB-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.30
Rot. Bonds5

About [4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine

[4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 62443830) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is [4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID62443830
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name[4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(COCC2CCCO2)cs1
InChIInChI=1S/C10H16N2O2S/c11-4-10-12-8(7-15-10)5-13-6-9-2-1-3-14-9/h7,9H,1-6,11H2
InChIKeyRPUXHNWENRYQCB-UHFFFAOYSA-N
XLogP1.30
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62429825
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62431015
2-chloro-6-(oxolan-2-ylmethoxymethyl)pyridine
CID 79240930
[4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62445438
[(2S)-oxolan-2-yl]methoxymethanamine
CID 126553312
2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119712742
[3-(oxolan-2-ylmethoxymethyl)furan-2-yl]methanamine
CID 62444972
2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole
CID 79764859
1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61283235
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110374670
2-[4-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389415
2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626069

Frequently Asked Questions

What is the IUPAC name of [4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine (CID 62443830) is [4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine is NCc1nc(COCC2CCCO2)cs1.
What is the InChIKey of [4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is RPUXHNWENRYQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c11-4-10-12-8(7-15-10)5-13-6-9-2-1-3-14-9/h7,9H,1-6,11H2.
What are the key properties of [4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine?
[4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 228.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 62443830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).