7-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

C19H19FN2O4S — CID 163380058

IUPAC7-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1ncsc1COc1cc(F)c2oc(C)c(C(=O)NC3(CO)CC3)c2c1
InChIInChI=1S/C19H19FN2O4S/c1-10-15(27-9-21-10)7-25-12-5-13-16(11(2)26-17(13)14(20)6-12)18(24)22-19(8-23)3-4-19/h5-6,9,23H,3-4,7-8H2,1-2H3,(H,22,24)
InChIKeyOUJJLYYTVZMQCJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.48
Rot. Bonds6

About 7-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

7-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163380058) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is 7-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
PubChem CID163380058
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name7-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1ncsc1COc1cc(F)c2oc(C)c(C(=O)NC3(CO)CC3)c2c1
InChIInChI=1S/C19H19FN2O4S/c1-10-15(27-9-21-10)7-25-12-5-13-16(11(2)26-17(13)14(20)6-12)18(24)22-19(8-23)3-4-19/h5-6,9,23H,3-4,7-8H2,1-2H3,(H,22,24)
InChIKeyOUJJLYYTVZMQCJ-UHFFFAOYSA-N
XLogP3.48
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of 7-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (CID 163380058) is 7-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 7-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for 7-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1ncsc1COc1cc(F)c2oc(C)c(C(=O)NC3(CO)CC3)c2c1.
What is the InChIKey of 7-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The InChIKey is OUJJLYYTVZMQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c1-10-15(27-9-21-10)7-25-12-5-13-16(11(2)26-17(13)14(20)6-12)18(24)22-19(8-23)3-4-19/h5-6,9,23H,3-4,7-8H2,1-2H3,(H,22,24).
What are the key properties of 7-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
7-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).