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

C12H11NO2S — CID 116967801

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole
SMILESCOc1nc(-c2ccc3c(c2)CCO3)cs1
InChIInChI=1S/C12H11NO2S/c1-14-12-13-10(7-16-12)8-2-3-11-9(6-8)4-5-15-11/h2-3,6-7H,4-5H2,1H3
InChIKeyXLBDQUKVKPDXAI-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.75
Rot. Bonds2

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

4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole (PubChem CID 116967801) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole
PubChem CID116967801
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole
SMILESCOc1nc(-c2ccc3c(c2)CCO3)cs1
InChIInChI=1S/C12H11NO2S/c1-14-12-13-10(7-16-12)8-2-3-11-9(6-8)4-5-15-11/h2-3,6-7H,4-5H2,1H3
InChIKeyXLBDQUKVKPDXAI-UHFFFAOYSA-N
XLogP2.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate
CID 116966357
4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 6504218
2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid
CID 116965649
2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol
CID 116966779
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 112808676
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 46680144
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119699062
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965909
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol
CID 116867444
ethane;2-methoxy-4-(4-methylphenyl)-1,3-thiazole
CID 145078481
1-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one
CID 159256452
2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-yl-1,3-thiazole
CID 58689212

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole (CID 116967801) is 4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole is COc1nc(-c2ccc3c(c2)CCO3)cs1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole?
The InChIKey is XLBDQUKVKPDXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-14-12-13-10(7-16-12)8-2-3-11-9(6-8)4-5-15-11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole?
4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole has a molecular weight of 233.29 g/mol, XLogP of 2.75, 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)-2-methoxy-1,3-thiazole is sourced from PubChem (CID 116967801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).