4-fluoro-3-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide

C22H20FN3O3S — CID 53347984

IUPAC4-fluoro-3-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
SMILESCCC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccc(F)c(OC)c4)n3)ccc21
InChIInChI=1S/C22H20FN3O3S/c1-3-20(27)26-9-8-14-10-13(5-7-18(14)26)17-12-30-22(24-17)25-21(28)15-4-6-16(23)19(11-15)29-2/h4-7,10-12H,3,8-9H2,1-2H3,(H,24,25,28)
InChIKeyLRYCBIYINTYLJG-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.51
Rot. Bonds5

About 4-fluoro-3-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide

4-fluoro-3-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 53347984) has the molecular formula C22H20FN3O3S and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID53347984
Molecular FormulaC22H20FN3O3S
Molecular Weight425.49 g/mol
Exact Mass425.12
IUPAC Name4-fluoro-3-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
SMILESCCC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccc(F)c(OC)c4)n3)ccc21
InChIInChI=1S/C22H20FN3O3S/c1-3-20(27)26-9-8-14-10-13(5-7-18(14)26)17-12-30-22(24-17)25-21(28)15-4-6-16(23)19(11-15)29-2/h4-7,10-12H,3,8-9H2,1-2H3,(H,24,25,28)
InChIKeyLRYCBIYINTYLJG-UHFFFAOYSA-N
XLogP4.51
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide (CID 53347984) is 4-fluoro-3-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide is CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccc(F)c(OC)c4)n3)ccc21.
What is the InChIKey of 4-fluoro-3-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is LRYCBIYINTYLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3S/c1-3-20(27)26-9-8-14-10-13(5-7-18(14)26)17-12-30-22(24-17)25-21(28)15-4-6-16(23)19(11-15)29-2/h4-7,10-12H,3,8-9H2,1-2H3,(H,24,25,28).
What are the key properties of 4-fluoro-3-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide?
4-fluoro-3-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 425.49 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 53347984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).