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

C8H11N5S — CID 62793995

IUPAC5-(2-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCCn1ncnc1-c1sc(N)nc1C
InChIInChI=1S/C8H11N5S/c1-3-13-7(10-4-11-13)6-5(2)12-8(9)14-6/h4H,3H2,1-2H3,(H2,9,12)
InChIKeyMZSFAFHYSQPTIL-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.31
Rot. Bonds2

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

5-(2-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 62793995) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 5-(2-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine
PubChem CID62793995
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name5-(2-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCCn1ncnc1-c1sc(N)nc1C
InChIInChI=1S/C8H11N5S/c1-3-13-7(10-4-11-13)6-5(2)12-8(9)14-6/h4H,3H2,1-2H3,(H2,9,12)
InChIKeyMZSFAFHYSQPTIL-UHFFFAOYSA-N
XLogP1.31
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine (CID 62793995) is 5-(2-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine is CCn1ncnc1-c1sc(N)nc1C.
What is the InChIKey of 5-(2-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is MZSFAFHYSQPTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-3-13-7(10-4-11-13)6-5(2)12-8(9)14-6/h4H,3H2,1-2H3,(H2,9,12).
What are the key properties of 5-(2-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine?
5-(2-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 209.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62793995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).