4-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde

C13H11NO2S — CID 116867303

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
SMILESCc1sc(C=O)nc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C13H11NO2S/c1-8-13(14-12(7-15)17-8)10-2-3-11-9(6-10)4-5-16-11/h2-3,6-7H,4-5H2,1H3
InChIKeyQCQRPJQGSZMXJB-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.87
Rot. Bonds2

About 4-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde

4-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde (PubChem CID 116867303) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
PubChem CID116867303
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
SMILESCc1sc(C=O)nc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C13H11NO2S/c1-8-13(14-12(7-15)17-8)10-2-3-11-9(6-10)4-5-16-11/h2-3,6-7H,4-5H2,1H3
InChIKeyQCQRPJQGSZMXJB-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carbaldehyde
CID 116867302
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
CID 82766457
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715
4-(3H-benzimidazol-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867298
2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
CID 114076490
2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 116886209
5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran
CID 23543562
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116868202
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
CID 122202103
4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine
CID 116831842
5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid
CID 79997151

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde (CID 116867303) is 4-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde is Cc1sc(C=O)nc1-c1ccc2c(c1)CCO2.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde?
The InChIKey is QCQRPJQGSZMXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c1-8-13(14-12(7-15)17-8)10-2-3-11-9(6-10)4-5-16-11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde?
4-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde has a molecular weight of 245.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 116867303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).