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

C8H11N5OS — CID 82220951

IUPAC[5-(methoxymethyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
SMILESCOCc1c(CN)nnn1-c1nccs1
InChIInChI=1S/C8H11N5OS/c1-14-5-7-6(4-9)11-12-13(7)8-10-2-3-15-8/h2-3H,4-5,9H2,1H3
InChIKeyJUIZSZZBTWZVAH-UHFFFAOYSA-N
MW225.28 g/mol
LogP0.33
Rot. Bonds4

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

[5-(methoxymethyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine (PubChem CID 82220951) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is [5-(methoxymethyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(methoxymethyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
PubChem CID82220951
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC Name[5-(methoxymethyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
SMILESCOCc1c(CN)nnn1-c1nccs1
InChIInChI=1S/C8H11N5OS/c1-14-5-7-6(4-9)11-12-13(7)8-10-2-3-15-8/h2-3H,4-5,9H2,1H3
InChIKeyJUIZSZZBTWZVAH-UHFFFAOYSA-N
XLogP0.33
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82220922
[5-[(4-ethylphenoxy)methyl]-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 94962601
[5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82220928
5-propyl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220778
5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220796
[5-[(E)-2-(4-chlorophenyl)ethenyl]-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 94962604
[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82221614
[1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine
CID 82196436
5-(phenoxymethyl)-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220861
[1-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanamine
CID 82195423
5-[(2,3-dimethylphenoxy)methyl]-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 94962569
propyl 4-[4-(aminomethyl)-5-(methoxymethyl)triazol-1-yl]benzoate
CID 82195645

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [5-(methoxymethyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine (CID 82220951) is [5-(methoxymethyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-(methoxymethyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [5-(methoxymethyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine is COCc1c(CN)nnn1-c1nccs1.
What is the InChIKey of [5-(methoxymethyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine?
The InChIKey is JUIZSZZBTWZVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-14-5-7-6(4-9)11-12-13(7)8-10-2-3-15-8/h2-3H,4-5,9H2,1H3.
What are the key properties of [5-(methoxymethyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine?
[5-(methoxymethyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine has a molecular weight of 225.28 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 82220951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).