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

C13H11NO2S — CID 114992919

IUPAC(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(1,3-thiazol-4-yl)methanone
SMILESCC1Cc2cc(C(=O)c3cscn3)ccc2O1
InChIInChI=1S/C13H11NO2S/c1-8-4-10-5-9(2-3-12(10)16-8)13(15)11-6-17-7-14-11/h2-3,5-8H,4H2,1H3
InChIKeyFTTMEOZYWRDHSK-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.70
Rot. Bonds2

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

(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 114992919) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID114992919
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(1,3-thiazol-4-yl)methanone
SMILESCC1Cc2cc(C(=O)c3cscn3)ccc2O1
InChIInChI=1S/C13H11NO2S/c1-8-4-10-5-9(2-3-12(10)16-8)13(15)11-6-17-7-14-11/h2-3,5-8H,4H2,1H3
InChIKeyFTTMEOZYWRDHSK-UHFFFAOYSA-N
XLogP2.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trimethylphenyl)methanone
CID 43297079
(5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 79981125
(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297054
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101051
(3-ethylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 79985945
(3-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297105
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone
CID 43463835
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476480
2-chloro-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 43297026
(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297098
(2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 65454365

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(1,3-thiazol-4-yl)methanone (CID 114992919) is (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(1,3-thiazol-4-yl)methanone is CC1Cc2cc(C(=O)c3cscn3)ccc2O1.
What is the InChIKey of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is FTTMEOZYWRDHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c1-8-4-10-5-9(2-3-12(10)16-8)13(15)11-6-17-7-14-11/h2-3,5-8H,4H2,1H3.
What are the key properties of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(1,3-thiazol-4-yl)methanone?
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 245.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 114992919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).