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

C10H15N5OS — CID 55249771

IUPAC[5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCOCCn1cnnc1-c1sc(CN)nc1C
InChIInChI=1S/C10H15N5OS/c1-7-9(17-8(5-11)13-7)10-14-12-6-15(10)3-4-16-2/h6H,3-5,11H2,1-2H3
InChIKeyYRKOCEIYCBJMRR-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.82
Rot. Bonds5

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

[5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]methanamine (PubChem CID 55249771) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is [5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]methanamine
PubChem CID55249771
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name[5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCOCCn1cnnc1-c1sc(CN)nc1C
InChIInChI=1S/C10H15N5OS/c1-7-9(17-8(5-11)13-7)10-14-12-6-15(10)3-4-16-2/h6H,3-5,11H2,1-2H3
InChIKeyYRKOCEIYCBJMRR-UHFFFAOYSA-N
XLogP0.82
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]methanamine (CID 55249771) is [5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]methanamine is COCCn1cnnc1-c1sc(CN)nc1C.
What is the InChIKey of [5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is YRKOCEIYCBJMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-7-9(17-8(5-11)13-7)10-14-12-6-15(10)3-4-16-2/h6H,3-5,11H2,1-2H3.
What are the key properties of [5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]methanamine?
[5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 253.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 55249771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).