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

C6H10N2OS — CID 28948312

IUPAC[2-(methoxymethyl)-1,3-thiazol-4-yl]methanamine
SMILESCOCc1nc(CN)cs1
InChIInChI=1S/C6H10N2OS/c1-9-3-6-8-5(2-7)4-10-6/h4H,2-3,7H2,1H3
InChIKeyBQMGHENQFGMTNV-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.75
Rot. Bonds3

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

[2-(methoxymethyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 28948312) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is [2-(methoxymethyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(methoxymethyl)-1,3-thiazol-4-yl]methanamine
PubChem CID28948312
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name[2-(methoxymethyl)-1,3-thiazol-4-yl]methanamine
SMILESCOCc1nc(CN)cs1
InChIInChI=1S/C6H10N2OS/c1-9-3-6-8-5(2-7)4-10-6/h4H,2-3,7H2,1H3
InChIKeyBQMGHENQFGMTNV-UHFFFAOYSA-N
XLogP0.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(methoxymethyl)-1,3-thiazol-4-yl]methanamine (CID 28948312) is [2-(methoxymethyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(methoxymethyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(methoxymethyl)-1,3-thiazol-4-yl]methanamine is COCc1nc(CN)cs1.
What is the InChIKey of [2-(methoxymethyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is BQMGHENQFGMTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-9-3-6-8-5(2-7)4-10-6/h4H,2-3,7H2,1H3.
What are the key properties of [2-(methoxymethyl)-1,3-thiazol-4-yl]methanamine?
[2-(methoxymethyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 158.23 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 28948312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).