1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone

C12H14N2O2S — CID 55113375

IUPAC1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)Cc2ccoc2C)s1
InChIInChI=1S/C12H14N2O2S/c1-8(15)11-6-13-12(17-11)14(3)7-10-4-5-16-9(10)2/h4-6H,7H2,1-3H3
InChIKeyLNZSHOARRBCIJY-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.88
Rot. Bonds4

About 1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone

1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone (PubChem CID 55113375) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
PubChem CID55113375
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)Cc2ccoc2C)s1
InChIInChI=1S/C12H14N2O2S/c1-8(15)11-6-13-12(17-11)14(3)7-10-4-5-16-9(10)2/h4-6H,7H2,1-3H3
InChIKeyLNZSHOARRBCIJY-UHFFFAOYSA-N
XLogP2.88
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-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-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone (CID 55113375) is 1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(N(C)Cc2ccoc2C)s1.
What is the InChIKey of 1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone?
The InChIKey is LNZSHOARRBCIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-8(15)11-6-13-12(17-11)14(3)7-10-4-5-16-9(10)2/h4-6H,7H2,1-3H3.
What are the key properties of 1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone?
1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone has a molecular weight of 250.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 55113375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).