[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine

C8H11N5OS — CID 106598242

IUPAC[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine
SMILESCn1cnc(OCc2csc(CN)n2)n1
InChIInChI=1S/C8H11N5OS/c1-13-5-10-8(12-13)14-3-6-4-15-7(2-9)11-6/h4-5H,2-3,9H2,1H3
InChIKeyOGJWZXLPWOTZGC-UHFFFAOYSA-N
MW225.28 g/mol
LogP0.31
Rot. Bonds4

About [4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine

[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 106598242) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is [4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine
PubChem CID106598242
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC Name[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine
SMILESCn1cnc(OCc2csc(CN)n2)n1
InChIInChI=1S/C8H11N5OS/c1-13-5-10-8(12-13)14-3-6-4-15-7(2-9)11-6/h4-5H,2-3,9H2,1H3
InChIKeyOGJWZXLPWOTZGC-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62445438
[4-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]methanamine
CID 103175647
[4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62548421
[4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 159339368
[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62484343
[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 83134833
[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine
CID 62452340
[4-(1,3-benzodioxol-5-yloxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62450878
[2-(aminomethyl)-1,3-thiazol-4-yl]methanethiol
CID 82502783
[4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine
CID 55077570
[4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62443694
[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62446597

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine (CID 106598242) is [4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine is Cn1cnc(OCc2csc(CN)n2)n1.
What is the InChIKey of [4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is OGJWZXLPWOTZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-13-5-10-8(12-13)14-3-6-4-15-7(2-9)11-6/h4-5H,2-3,9H2,1H3.
What are the key properties of [4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine?
[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 225.28 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 106598242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).