N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide

C16H14N2O4S — CID 71794719

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nc4c(s3)COCC4)oc12
InChIInChI=1S/C16H14N2O4S/c1-20-11-4-2-3-9-7-12(22-14(9)11)15(19)18-16-17-10-5-6-21-8-13(10)23-16/h2-4,7H,5-6,8H2,1H3,(H,17,18,19)
InChIKeyITLPFMZXFUATCK-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.22
Rot. Bonds3

About N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 71794719) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID71794719
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nc4c(s3)COCC4)oc12
InChIInChI=1S/C16H14N2O4S/c1-20-11-4-2-3-9-7-12(22-14(9)11)15(19)18-16-17-10-5-6-21-8-13(10)23-16/h2-4,7H,5-6,8H2,1H3,(H,17,18,19)
InChIKeyITLPFMZXFUATCK-UHFFFAOYSA-N
XLogP3.22
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide (CID 71794719) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3nc4c(s3)COCC4)oc12.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is ITLPFMZXFUATCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-20-11-4-2-3-9-7-12(22-14(9)11)15(19)18-16-17-10-5-6-21-8-13(10)23-16/h2-4,7H,5-6,8H2,1H3,(H,17,18,19).
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71794719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).