1-[3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone

C10H13N5OS — CID 79363876

IUPAC1-[3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCc1nncn1C
InChIInChI=1S/C10H13N5OS/c1-6-9(7(2)16)10(17-14-6)11-4-8-13-12-5-15(8)3/h5,11H,4H2,1-3H3
InChIKeyYXJNGPOIJAQIHI-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.39
Rot. Bonds4

About 1-[3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone

1-[3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone (PubChem CID 79363876) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-[3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone
PubChem CID79363876
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name1-[3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCc1nncn1C
InChIInChI=1S/C10H13N5OS/c1-6-9(7(2)16)10(17-14-6)11-4-8-13-12-5-15(8)3/h5,11H,4H2,1-3H3
InChIKeyYXJNGPOIJAQIHI-UHFFFAOYSA-N
XLogP1.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone (CID 79363876) is 1-[3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NCc1nncn1C.
What is the InChIKey of 1-[3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone?
The InChIKey is YXJNGPOIJAQIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-6-9(7(2)16)10(17-14-6)11-4-8-13-12-5-15(8)3/h5,11H,4H2,1-3H3.
What are the key properties of 1-[3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone has a molecular weight of 251.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79363876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).