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

C11H13N3O2S — CID 79364549

IUPAC1-[3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCc1cc(C)on1
InChIInChI=1S/C11H13N3O2S/c1-6-4-9(13-16-6)5-12-11-10(8(3)15)7(2)14-17-11/h4,12H,5H2,1-3H3
InChIKeyNTLVDOYPBSQNEV-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.56
Rot. Bonds4

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

1-[3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone (PubChem CID 79364549) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-[3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone
PubChem CID79364549
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-[3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCc1cc(C)on1
InChIInChI=1S/C11H13N3O2S/c1-6-4-9(13-16-6)5-12-11-10(8(3)15)7(2)14-17-11/h4,12H,5H2,1-3H3
InChIKeyNTLVDOYPBSQNEV-UHFFFAOYSA-N
XLogP2.56
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-methyl-5-[(5-methyl-1,2-oxazol-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-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone (CID 79364549) is 1-[3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NCc1cc(C)on1.
What is the InChIKey of 1-[3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone?
The InChIKey is NTLVDOYPBSQNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-6-4-9(13-16-6)5-12-11-10(8(3)15)7(2)14-17-11/h4,12H,5H2,1-3H3.
What are the key properties of 1-[3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone has a molecular weight of 251.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79364549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).