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

C6H10N2OS — CID 96589861

IUPAC[3-(methoxymethyl)-1,2-thiazol-5-yl]methanamine
SMILESCOCc1cc(CN)sn1
InChIInChI=1S/C6H10N2OS/c1-9-4-5-2-6(3-7)10-8-5/h2H,3-4,7H2,1H3
InChIKeyZKZZCFLAXDPAIQ-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.75
Rot. Bonds3

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

[3-(methoxymethyl)-1,2-thiazol-5-yl]methanamine (PubChem CID 96589861) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is [3-(methoxymethyl)-1,2-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(methoxymethyl)-1,2-thiazol-5-yl]methanamine
PubChem CID96589861
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name[3-(methoxymethyl)-1,2-thiazol-5-yl]methanamine
SMILESCOCc1cc(CN)sn1
InChIInChI=1S/C6H10N2OS/c1-9-4-5-2-6(3-7)10-8-5/h2H,3-4,7H2,1H3
InChIKeyZKZZCFLAXDPAIQ-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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Related Compounds

5-(Methoxymethyl)-3-methyl-1,2-thiazole
CID 58602875
N,N-dimethyl-2-[(5-methyl-1,2-thiazol-3-yl)methoxy]ethanamine
CID 145535459
2-[3-(Methoxymethyl)-1,2-thiazol-5-yl]ethanamine
CID 82372977
1-[3-(Methoxymethyl)-1,2-thiazol-5-yl]propan-1-amine
CID 82405705
2-Methoxy-1-(3-methyl-1,2-thiazol-5-yl)ethanamine
CID 130752204
(5-Methyl-1,2-thiazol-3-yl)methyl acetate
CID 131201632
2-Ethoxy-2-(3-methyl-1,2-thiazol-5-yl)ethan-1-amine
CID 165848493
2-Methoxy-2-(3-methyl-1,2-thiazol-5-yl)ethan-1-amine
CID 165962130

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-1,2-thiazol-5-yl]methanamine?
The IUPAC name of [3-(methoxymethyl)-1,2-thiazol-5-yl]methanamine (CID 96589861) is [3-(methoxymethyl)-1,2-thiazol-5-yl]methanamine.
What is the SMILES notation for [3-(methoxymethyl)-1,2-thiazol-5-yl]methanamine?
The canonical SMILES for [3-(methoxymethyl)-1,2-thiazol-5-yl]methanamine is COCc1cc(CN)sn1.
What is the InChIKey of [3-(methoxymethyl)-1,2-thiazol-5-yl]methanamine?
The InChIKey is ZKZZCFLAXDPAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-9-4-5-2-6(3-7)10-8-5/h2H,3-4,7H2,1H3.
What are the key properties of [3-(methoxymethyl)-1,2-thiazol-5-yl]methanamine?
[3-(methoxymethyl)-1,2-thiazol-5-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 [3-(methoxymethyl)-1,2-thiazol-5-yl]methanamine is sourced from PubChem (CID 96589861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).