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

C13H11NO3S — CID 116966357

IUPACmethyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3c(c2)CCO3)cs1
InChIInChI=1S/C13H11NO3S/c1-16-13(15)12-14-10(7-18-12)8-2-3-11-9(6-8)4-5-17-11/h2-3,6-7H,4-5H2,1H3
InChIKeyHVUKUAZPYORPMV-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.53
Rot. Bonds2

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

methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate (PubChem CID 116966357) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate
PubChem CID116966357
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Namemethyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3c(c2)CCO3)cs1
InChIInChI=1S/C13H11NO3S/c1-16-13(15)12-14-10(7-18-12)8-2-3-11-9(6-8)4-5-17-11/h2-3,6-7H,4-5H2,1H3
InChIKeyHVUKUAZPYORPMV-UHFFFAOYSA-N
XLogP2.53
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole
CID 116967801
2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid
CID 116965649
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate
CID 4131960
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
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119699050
methyl 4-(4-methylsulfanylphenyl)-1,3-thiazole-2-carboxylate
CID 116966354
(2R)-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 30094774
methyl 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 121339129
2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide
CID 119699067
methyl 3-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanoate
CID 100677303
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 17394900

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate?
The IUPAC name of methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate (CID 116966357) is methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate is COC(=O)c1nc(-c2ccc3c(c2)CCO3)cs1.
What is the InChIKey of methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate?
The InChIKey is HVUKUAZPYORPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-16-13(15)12-14-10(7-18-12)8-2-3-11-9(6-8)4-5-17-11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate?
methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate has a molecular weight of 261.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 116966357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).