1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C10H9NO2S — CID 63948149

IUPAC1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2ccoc2)n1
InChIInChI=1S/C10H9NO2S/c1-7-6-14-10(11-7)4-9(12)8-2-3-13-5-8/h2-3,5-6H,4H2,1H3
InChIKeyKNCMSEKFZGETRW-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.47
Rot. Bonds3

About 1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 63948149) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID63948149
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2ccoc2)n1
InChIInChI=1S/C10H9NO2S/c1-7-6-14-10(11-7)4-9(12)8-2-3-13-5-8/h2-3,5-6H,4H2,1H3
InChIKeyKNCMSEKFZGETRW-UHFFFAOYSA-N
XLogP2.47
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone
CID 112731545
2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone
CID 60976974
1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977103
CID 131842856
CID 131842856
1-(5-bromo-3-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 112731549
1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642317
2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone
CID 114685745
1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 728377
1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977248
4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 82919513
1-(5-chloro-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586851
1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 55023762

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 63948149) is 1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1csc(CC(=O)c2ccoc2)n1.
What is the InChIKey of 1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is KNCMSEKFZGETRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-7-6-14-10(11-7)4-9(12)8-2-3-13-5-8/h2-3,5-6H,4H2,1H3.
What are the key properties of 1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 207.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 63948149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).