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

C12H19N5S — CID 55249962

IUPAC[5-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc(C(C)(C)C)nn1C
InChIInChI=1S/C12H19N5S/c1-7-9(18-8(6-13)14-7)10-15-11(12(2,3)4)16-17(10)5/h6,13H2,1-5H3
InChIKeyQHKGHAJWHIUAKD-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.00
Rot. Bonds2

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

[5-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]methanamine (PubChem CID 55249962) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is [5-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
PubChem CID55249962
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name[5-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc(C(C)(C)C)nn1C
InChIInChI=1S/C12H19N5S/c1-7-9(18-8(6-13)14-7)10-15-11(12(2,3)4)16-17(10)5/h6,13H2,1-5H3
InChIKeyQHKGHAJWHIUAKD-UHFFFAOYSA-N
XLogP2.00
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]methanamine (CID 55249962) is [5-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]methanamine is Cc1nc(CN)sc1-c1nc(C(C)(C)C)nn1C.
What is the InChIKey of [5-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is QHKGHAJWHIUAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-7-9(18-8(6-13)14-7)10-15-11(12(2,3)4)16-17(10)5/h6,13H2,1-5H3.
What are the key properties of [5-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
[5-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 265.39 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 55249962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).