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

C11H17N5S — CID 54895464

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCc1nc(C(C)NCc2nncn2C)c(C)s1
InChIInChI=1S/C11H17N5S/c1-7(11-8(2)17-9(3)14-11)12-5-10-15-13-6-16(10)4/h6-7,12H,5H2,1-4H3
InChIKeyFBXZBJKURNARLV-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.74
Rot. Bonds4

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

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 54895464) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID54895464
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCc1nc(C(C)NCc2nncn2C)c(C)s1
InChIInChI=1S/C11H17N5S/c1-7(11-8(2)17-9(3)14-11)12-5-10-15-13-6-16(10)4/h6-7,12H,5H2,1-4H3
InChIKeyFBXZBJKURNARLV-UHFFFAOYSA-N
XLogP1.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 54895464) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is Cc1nc(C(C)NCc2nncn2C)c(C)s1.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is FBXZBJKURNARLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-7(11-8(2)17-9(3)14-11)12-5-10-15-13-6-16(10)4/h6-7,12H,5H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 251.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 54895464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).