2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide;1H-pyrrole

C19H19N3O3S — CID 175480648

IUPAC2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide;1H-pyrrole
SMILESCc1ncc(COc2ccc3oc(C)c(C(N)=O)c3c2)s1.c1cc[nH]c1
InChIInChI=1S/C15H14N2O3S.C4H5N/c1-8-14(15(16)18)12-5-10(3-4-13(12)20-8)19-7-11-6-17-9(2)21-11;1-2-4-5-3-1/h3-6H,7H2,1-2H3,(H2,16,18);1-5H
InChIKeyXSXVCCSVHBADQH-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.20
Rot. Bonds4

About 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide;1H-pyrrole

2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide;1H-pyrrole (PubChem CID 175480648) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide;1H-pyrrole.

Molecular Properties

Compound Name2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide;1H-pyrrole
PubChem CID175480648
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide;1H-pyrrole
SMILESCc1ncc(COc2ccc3oc(C)c(C(N)=O)c3c2)s1.c1cc[nH]c1
InChIInChI=1S/C15H14N2O3S.C4H5N/c1-8-14(15(16)18)12-5-10(3-4-13(12)20-8)19-7-11-6-17-9(2)21-11;1-2-4-5-3-1/h3-6H,7H2,1-2H3,(H2,16,18);1-5H
InChIKeyXSXVCCSVHBADQH-UHFFFAOYSA-N
XLogP4.20
TPSA94.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide;1H-pyrrole?
The IUPAC name of 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide;1H-pyrrole (CID 175480648) is 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide;1H-pyrrole.
What is the SMILES notation for 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide;1H-pyrrole?
The canonical SMILES for 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide;1H-pyrrole is Cc1ncc(COc2ccc3oc(C)c(C(N)=O)c3c2)s1.c1cc[nH]c1.
What is the InChIKey of 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide;1H-pyrrole?
The InChIKey is XSXVCCSVHBADQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S.C4H5N/c1-8-14(15(16)18)12-5-10(3-4-13(12)20-8)19-7-11-6-17-9(2)21-11;1-2-4-5-3-1/h3-6H,7H2,1-2H3,(H2,16,18);1-5H.
What are the key properties of 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide;1H-pyrrole?
2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide;1H-pyrrole has a molecular weight of 369.45 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide;1H-pyrrole is sourced from PubChem (CID 175480648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).