2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone

C16H13NO2S — CID 104806296

IUPAC2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
SMILESCc1ccoc1-c1nc(CC(=O)c2ccccc2)cs1
InChIInChI=1S/C16H13NO2S/c1-11-7-8-19-15(11)16-17-13(10-20-16)9-14(18)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKeyGOKADYZJAIMPAM-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.14
Rot. Bonds4

About 2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone

2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone (PubChem CID 104806296) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
PubChem CID104806296
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
SMILESCc1ccoc1-c1nc(CC(=O)c2ccccc2)cs1
InChIInChI=1S/C16H13NO2S/c1-11-7-8-19-15(11)16-17-13(10-20-16)9-14(18)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKeyGOKADYZJAIMPAM-UHFFFAOYSA-N
XLogP4.14
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone with MolForge

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

Launch Full Analysis

Related Compounds

N-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 104806392
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62366878
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 116633076
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62757081
2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone
CID 63199105
2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone
CID 62367219
2-[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone
CID 62756542
2-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanone
CID 62751139
2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548145
2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62755289
1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979460

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
The IUPAC name of 2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone (CID 104806296) is 2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone is Cc1ccoc1-c1nc(CC(=O)c2ccccc2)cs1.
What is the InChIKey of 2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
The InChIKey is GOKADYZJAIMPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-11-7-8-19-15(11)16-17-13(10-20-16)9-14(18)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3.
What are the key properties of 2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone has a molecular weight of 283.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone is sourced from PubChem (CID 104806296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).