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

C19H19FN2O4S — CID 163380160

IUPAC6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1ncsc1COc1cc2c(C(=O)NC3(CO)CC3)c(C)oc2cc1F
InChIInChI=1S/C19H19FN2O4S/c1-10-16(27-9-21-10)7-25-15-5-12-14(6-13(15)20)26-11(2)17(12)18(24)22-19(8-23)3-4-19/h5-6,9,23H,3-4,7-8H2,1-2H3,(H,22,24)
InChIKeyJDPGCDCJKUGXRK-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.48
Rot. Bonds6

About 6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163380160) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
PubChem CID163380160
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1ncsc1COc1cc2c(C(=O)NC3(CO)CC3)c(C)oc2cc1F
InChIInChI=1S/C19H19FN2O4S/c1-10-16(27-9-21-10)7-25-15-5-12-14(6-13(15)20)26-11(2)17(12)18(24)22-19(8-23)3-4-19/h5-6,9,23H,3-4,7-8H2,1-2H3,(H,22,24)
InChIKeyJDPGCDCJKUGXRK-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 6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (CID 163380160) is 6-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 6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1ncsc1COc1cc2c(C(=O)NC3(CO)CC3)c(C)oc2cc1F.
What is the InChIKey of 6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The InChIKey is JDPGCDCJKUGXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c1-10-16(27-9-21-10)7-25-15-5-12-14(6-13(15)20)26-11(2)17(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 6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
6-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 6-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 163380160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).