2-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine

C11H17N5S — CID 55201331

IUPAC2-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCc1ncsc1CCNCCc1nncn1C
InChIInChI=1S/C11H17N5S/c1-9-10(17-8-13-9)3-5-12-6-4-11-15-14-7-16(11)2/h7-8,12H,3-6H2,1-2H3
InChIKeyUZRCBOGVWVXEOD-UHFFFAOYSA-N
MW251.36 g/mol
LogP0.95
Rot. Bonds6

About 2-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine

2-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (PubChem CID 55201331) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
PubChem CID55201331
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCc1ncsc1CCNCCc1nncn1C
InChIInChI=1S/C11H17N5S/c1-9-10(17-8-13-9)3-5-12-6-4-11-15-14-7-16(11)2/h7-8,12H,3-6H2,1-2H3
InChIKeyUZRCBOGVWVXEOD-UHFFFAOYSA-N
XLogP0.95
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (CID 55201331) is 2-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is Cc1ncsc1CCNCCc1nncn1C.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The InChIKey is UZRCBOGVWVXEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-9-10(17-8-13-9)3-5-12-6-4-11-15-14-7-16(11)2/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
2-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine has a molecular weight of 251.36 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 55201331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).