5-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine

C9H13N5S — CID 62794154

IUPAC5-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCCn1c(C)nnc1-c1sc(N)nc1C
InChIInChI=1S/C9H13N5S/c1-4-14-6(3)12-13-8(14)7-5(2)11-9(10)15-7/h4H2,1-3H3,(H2,10,11)
InChIKeyADXKAOVSLXEWNO-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.62
Rot. Bonds2

About 5-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine

5-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 62794154) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine
PubChem CID62794154
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name5-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCCn1c(C)nnc1-c1sc(N)nc1C
InChIInChI=1S/C9H13N5S/c1-4-14-6(3)12-13-8(14)7-5(2)11-9(10)15-7/h4H2,1-3H3,(H2,10,11)
InChIKeyADXKAOVSLXEWNO-UHFFFAOYSA-N
XLogP1.62
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine (CID 62794154) is 5-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine is CCn1c(C)nnc1-c1sc(N)nc1C.
What is the InChIKey of 5-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is ADXKAOVSLXEWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-4-14-6(3)12-13-8(14)7-5(2)11-9(10)15-7/h4H2,1-3H3,(H2,10,11).
What are the key properties of 5-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine?
5-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 223.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62794154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).