N-[(1-fluorocyclopropyl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

C19H19FN2O3S — CID 163379940

IUPACN-[(1-fluorocyclopropyl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1ncc(COc2ccc3oc(C)c(C(=O)NCC4(F)CC4)c3c2)s1
InChIInChI=1S/C19H19FN2O3S/c1-11-17(18(23)22-10-19(20)5-6-19)15-7-13(3-4-16(15)25-11)24-9-14-8-21-12(2)26-14/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,22,23)
InChIKeyROTSHRTYGYEIQZ-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.32
Rot. Bonds6

About N-[(1-fluorocyclopropyl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

N-[(1-fluorocyclopropyl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163379940) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(1-fluorocyclopropyl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1-fluorocyclopropyl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
PubChem CID163379940
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC NameN-[(1-fluorocyclopropyl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1ncc(COc2ccc3oc(C)c(C(=O)NCC4(F)CC4)c3c2)s1
InChIInChI=1S/C19H19FN2O3S/c1-11-17(18(23)22-10-19(20)5-6-19)15-7-13(3-4-16(15)25-11)24-9-14-8-21-12(2)26-14/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,22,23)
InChIKeyROTSHRTYGYEIQZ-UHFFFAOYSA-N
XLogP4.32
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopropyl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(1-fluorocyclopropyl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (CID 163379940) is N-[(1-fluorocyclopropyl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(1-fluorocyclopropyl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(1-fluorocyclopropyl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1ncc(COc2ccc3oc(C)c(C(=O)NCC4(F)CC4)c3c2)s1.
What is the InChIKey of N-[(1-fluorocyclopropyl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The InChIKey is ROTSHRTYGYEIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-11-17(18(23)22-10-19(20)5-6-19)15-7-13(3-4-16(15)25-11)24-9-14-8-21-12(2)26-14/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,22,23).
What are the key properties of N-[(1-fluorocyclopropyl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
N-[(1-fluorocyclopropyl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopropyl)methyl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163379940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).