(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone

C13H9NO2S — CID 114725833

IUPAC(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
SMILESCc1ccc2oc(C(=O)c3cscn3)cc2c1
InChIInChI=1S/C13H9NO2S/c1-8-2-3-11-9(4-8)5-12(16-11)13(15)10-6-17-7-14-10/h2-7H,1H3
InChIKeyBMBYVLRFABBYKN-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.43
Rot. Bonds2

About (5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone

(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 114725833) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is (5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID114725833
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
SMILESCc1ccc2oc(C(=O)c3cscn3)cc2c1
InChIInChI=1S/C13H9NO2S/c1-8-2-3-11-9(4-8)5-12(16-11)13(15)10-6-17-7-14-10/h2-7H,1H3
InChIKeyBMBYVLRFABBYKN-UHFFFAOYSA-N
XLogP3.43
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
CID 114725837
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
1-(5-methyl-1-benzofuran-2-yl)prop-2-yn-1-one
CID 105108138
(2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 106691307
azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone
CID 114736841
1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448685
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
(5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 63327037
(5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105081841
(2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115807979
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
1,3-thiazol-4-yl-(2,4,6-trimethylphenyl)methanone
CID 114993371

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone (CID 114725833) is (5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone is Cc1ccc2oc(C(=O)c3cscn3)cc2c1.
What is the InChIKey of (5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is BMBYVLRFABBYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c1-8-2-3-11-9(4-8)5-12(16-11)13(15)10-6-17-7-14-10/h2-7H,1H3.
What are the key properties of (5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone?
(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 243.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 114725833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).