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

C18H14N2O3S — CID 38242945

IUPAC(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1-benzofuran-5-carboxylate
SMILESO=C(OCc1csc(-c2ccccn2)n1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H14N2O3S/c21-18(13-4-5-16-12(9-13)6-8-22-16)23-10-14-11-24-17(20-14)15-3-1-2-7-19-15/h1-5,7,9,11H,6,8,10H2
InChIKeyFAGXWPVKHHZGNV-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.50
Rot. Bonds4

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

(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1-benzofuran-5-carboxylate (PubChem CID 38242945) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1-benzofuran-5-carboxylate.

Molecular Properties

Compound Name(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1-benzofuran-5-carboxylate
PubChem CID38242945
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Name(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1-benzofuran-5-carboxylate
SMILESO=C(OCc1csc(-c2ccccn2)n1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H14N2O3S/c21-18(13-4-5-16-12(9-13)6-8-22-16)23-10-14-11-24-17(20-14)15-3-1-2-7-19-15/h1-5,7,9,11H,6,8,10H2
InChIKeyFAGXWPVKHHZGNV-UHFFFAOYSA-N
XLogP3.50
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-cyanobenzoate
CID 42489484
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 3,5-bis(trifluoromethyl)benzoate
CID 18291551
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetate
CID 99804114
methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate
CID 30786002
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 42487190
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 86846496
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 25313151
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2-pyrazol-1-ylbenzoate
CID 86826373
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 18192264
[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 55818214
[2-(2,3-dihydro-1-benzofuran-5-yl)-2-iminoethyl] benzoate
CID 22302430
phenyl 2,3-dihydro-1-benzofuran-5-carboxylate
CID 2821719

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1-benzofuran-5-carboxylate?
The IUPAC name of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1-benzofuran-5-carboxylate (CID 38242945) is (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1-benzofuran-5-carboxylate.
What is the SMILES notation for (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1-benzofuran-5-carboxylate?
The canonical SMILES for (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1-benzofuran-5-carboxylate is O=C(OCc1csc(-c2ccccn2)n1)c1ccc2c(c1)CCO2.
What is the InChIKey of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1-benzofuran-5-carboxylate?
The InChIKey is FAGXWPVKHHZGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c21-18(13-4-5-16-12(9-13)6-8-22-16)23-10-14-11-24-17(20-14)15-3-1-2-7-19-15/h1-5,7,9,11H,6,8,10H2.
What are the key properties of (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1-benzofuran-5-carboxylate?
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1-benzofuran-5-carboxylate has a molecular weight of 338.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1-benzofuran-5-carboxylate is sourced from PubChem (CID 38242945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).